146035670 CDK 1116211528 33 38 0 0 0 0 0 0 0 0999 V2000 9.2240 0.7126 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.5834 2.7489 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.2243 2.6811 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.2867 -2.7569 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.9956 -0.0950 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.0123 -0.9871 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.6261 0.4264 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.1195 -1.0938 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.6831 -2.4544 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.2399 0.8859 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.7349 1.1793 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.0796 -2.1520 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.4040 0.6218 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0643 1.3735 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6742 1.9290 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3910 1.5205 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1427 1.8603 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3339 -0.8419 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1803 -0.1845 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7230 -1.3963 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8976 -2.2025 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8198 0.2518 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2941 -1.9001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1473 -0.0902 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4022 0.6944 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3224 -0.0902 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5542 -0.5654 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0674 0.6944 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7123 -0.7376 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7573 -0.7376 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2298 0.8859 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9154 -0.5654 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6499 0.2518 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 13 1 0 0 0 0 1 16 1 0 0 0 0 2 15 1 0 0 0 0 3 17 1 0 0 0 0 4 21 2 0 0 0 0 5 13 1 0 0 0 0 5 18 1 0 0 0 0 5 19 1 0 0 0 0 6 19 2 0 0 0 0 6 20 1 0 0 0 0 7 19 1 0 0 0 0 7 22 1 0 0 0 0 8 18 1 0 0 0 0 8 23 2 0 0 0 0 9 21 1 0 0 0 0 9 23 1 0 0 0 0 10 22 2 0 0 0 0 10 25 1 0 0 0 0 11 25 1 0 0 0 0 11 28 1 0 0 0 0 12 23 1 0 0 0 0 13 14 1 0 0 0 0 14 15 1 0 0 0 0 15 16 1 0 0 0 0 16 17 1 0 0 0 0 18 20 2 0 0 0 0 20 21 1 0 0 0 0 22 27 1 0 0 0 0 24 25 2 0 0 0 0 24 26 1 0 0 0 0 24 29 1 0 0 0 0 26 28 1 0 0 0 0 26 30 2 0 0 0 0 27 29 2 0 0 0 0 28 31 2 0 0 0 0 30 32 1 0 0 0 0 31 33 1 0 0 0 0 32 33 2 0 0 0 0 M END > CHEBI:184040 > Dg-c8-aac > 2 > 2-amino-9-[4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-8-(9H-pyrido[2,3-b]indol-2-ylamino)-1H-purin-6-one > C21H20N8O4 > 448.443 > 448.16075 > 0 > O1C(N2C=3N=C(NC(=O)C3N=C2NC4=NC=5NC=6C(C5C=C4)=CC=CC6)N)CC(O)C1CO > InChI=1S/C21H20N8O4/c22-20-27-18-16(19(32)28-20)26-21(29(18)15-7-12(31)13(8-30)33-15)25-14-6-5-10-9-3-1-2-4-11(9)23-17(10)24-14/h1-6,12-13,15,30-31H,7-8H2,(H3,22,27,28,32)(H2,23,24,25,26) > ZRBVUIRPSABEGI-UHFFFAOYSA-N $$$$