null CDK 0225161911 null 60 68 0 0 0 0 0 0 0 0999 V2000 3.2527 2.8012 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9650 2.0280 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1515 1.8906 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.6258 2.5264 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9135 3.2995 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7270 3.4370 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.0147 4.2101 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4890 4.8459 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.7767 5.6191 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5902 5.7565 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1159 5.1207 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8282 4.3475 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.8637 1.1174 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0476 1.2381 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3895 0.4816 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 3.2129 0.5332 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.7255 1.1796 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4219 1.9468 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5416 1.0589 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.8451 0.2918 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.3325 -0.3546 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.5164 -0.2339 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.8806 -0.7597 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2.1841 -0.3175 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 1.4877 0.1248 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8519 -0.4010 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0787 -0.1132 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0587 0.7002 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5771 1.2260 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3503 0.9382 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4397 2.0395 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3023 2.8529 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1649 3.6664 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6083 3.9542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7457 4.7676 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1554 -1.1681 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.9788 -1.1165 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7734 -1.9155 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9322 -1.5831 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2450 -2.0394 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2966 -2.8628 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0355 -3.2298 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7227 -2.7734 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6711 -1.9500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3584 -1.4936 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.0973 -1.8606 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7845 -1.4042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5234 -1.7712 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6361 -1.1218 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4522 -1.2425 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7557 -2.0096 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2431 -2.6560 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4270 -2.5353 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1235 -1.7682 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6612 0.1711 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1738 0.8175 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9899 0.6968 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2935 -0.0703 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7809 -0.7167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9648 -0.5960 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 6 1 1 0 0 0 0 6 7 1 0 0 0 0 7 8 2 0 0 0 0 8 9 1 0 0 0 0 9 10 2 0 0 0 0 10 11 1 0 0 0 0 11 12 2 0 0 0 0 12 7 1 0 0 0 0 3 13 1 0 0 0 0 13 14 2 0 0 0 0 15 13 1 6 0 0 0 15 16 1 0 0 0 0 16 17 1 1 0 0 0 17 18 2 0 0 0 0 17 19 1 0 0 0 0 19 20 1 0 0 0 0 20 21 1 0 0 0 0 21 22 1 0 0 0 0 22 16 1 0 0 0 0 22 23 1 0 0 0 0 23 24 1 0 0 0 0 24 15 1 0 0 0 0 24 25 1 6 0 0 0 25 26 2 0 0 0 0 26 27 1 0 0 0 0 27 28 2 0 0 0 0 28 29 1 0 0 0 0 29 30 2 0 0 0 0 30 25 1 0 0 0 0 29 31 1 0 0 0 0 31 32 3 0 0 0 0 32 33 1 0 0 0 0 33 34 1 0 0 0 0 34 35 1 0 0 0 0 26 36 1 0 0 0 0 36 37 1 0 0 0 0 37 24 1 0 0 0 0 37 38 2 0 0 0 0 23 39 1 6 0 0 0 39 40 2 0 0 0 0 40 41 1 0 0 0 0 41 42 2 0 0 0 0 42 43 1 0 0 0 0 43 44 2 0 0 0 0 44 39 1 0 0 0 0 44 45 1 0 0 0 0 45 46 1 0 0 0 0 46 47 1 0 0 0 0 47 48 1 0 0 0 0 21 49 1 6 0 0 0 49 50 2 0 0 0 0 50 51 1 0 0 0 0 51 52 2 0 0 0 0 52 53 1 0 0 0 0 53 54 2 0 0 0 0 54 49 1 0 0 0 0 20 55 1 6 0 0 0 55 56 2 0 0 0 0 56 57 1 0 0 0 0 57 58 2 0 0 0 0 58 59 1 0 0 0 0 59 60 2 0 0 0 0 60 55 1 0 0 0 0 M END > CHEBI:125173 > (3R,3'R,4'S,6'R,8'S,8'aS)-5-(4-hydroxybut-1-ynyl)-6'-[2-(2-hydroxyethoxy)phenyl]-8'-[oxo-[4-(2-pyrimidinyl)-1-piperazinyl]methyl]-3',4'-diphenylspiro[1H-indole-3,7'-4,6,8,8a-tetrahydro-3H-pyrrolo[2,1-c][1,4]oxazine]-1',2-dione > 2 > C47H44N6O7 > 804.890 > 804.32715 > 0 > C1CN(CCN1C2=NC=CC=N2)C(=O)[C@@H]3[C@H]4C(=O)O[C@@H]([C@@H](N4[C@@H]([C@]35C6=C(C=CC(=C6)C#CCCO)NC5=O)C7=CC=CC=C7OCCO)C8=CC=CC=C8)C9=CC=CC=C9 > InChI=1S/C47H44N6O7/c54-27-10-9-12-31-19-20-36-35(30-31)47(45(58)50-36)38(43(56)51-23-25-52(26-24-51)46-48-21-11-22-49-46)40-44(57)60-41(33-15-5-2-6-16-33)39(32-13-3-1-4-14-32)53(40)42(47)34-17-7-8-18-37(34)59-29-28-55/h1-8,11,13-22,30,38-42,54-55H,10,23-29H2,(H,50,58)/t38-,39-,40-,41+,42+,47-/m0/s1 > DEKIJPKQVLBTGQ-AEWJWUJOSA-N > LSM-36639 $$$$