null CDK 0225161911 null 46 51 0 0 0 0 0 0 0 0999 V2000 -8.1214 9.9726 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.3144 9.8010 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -6.7624 10.4141 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.0595 9.0164 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2525 8.8449 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9976 8.0603 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1906 7.8887 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6386 8.5018 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.9356 7.1041 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.1287 6.9326 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5766 7.5457 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7697 7.3741 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5147 6.5895 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0668 5.9764 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8737 6.1480 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8118 5.1918 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3639 4.5787 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.0049 5.0203 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.7499 4.2357 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9429 4.0641 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6880 3.2795 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2400 2.6664 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0470 2.8379 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3020 3.6226 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9851 1.8818 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.1781 1.7103 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3739 2.3234 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.1809 2.1518 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4358 1.3672 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8838 0.7541 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0768 0.9256 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.1387 -0.0305 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9233 -0.2854 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6378 0.1271 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3523 -0.2854 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3523 -1.1104 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6378 -1.5229 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9233 -1.1104 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.1387 -1.3654 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.6538 -0.6979 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1712 -0.6979 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5837 -1.4124 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4087 -1.4124 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8212 -0.6979 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4087 0.0165 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5837 0.0165 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 2 4 1 0 0 0 0 5 4 1 4 0 0 0 5 6 2 0 0 0 0 6 7 1 0 0 0 0 7 8 2 0 0 0 0 7 9 1 0 0 0 0 9 10 1 0 0 0 0 10 11 2 0 0 0 0 11 12 1 0 0 0 0 12 13 2 0 0 0 0 13 14 1 0 0 0 0 14 15 2 0 0 0 0 15 10 1 0 0 0 0 14 16 1 0 0 0 0 16 17 2 0 0 0 0 16 18 1 0 0 0 0 18 19 1 0 0 0 0 19 20 2 0 0 0 0 20 21 1 0 0 0 0 21 22 2 0 0 0 0 22 23 1 0 0 0 0 23 24 2 0 0 0 0 24 19 1 0 0 0 0 22 25 1 0 0 0 0 25 26 1 0 0 0 0 26 27 2 0 0 0 0 27 28 1 0 0 0 0 28 29 2 0 0 0 0 29 30 1 0 0 0 0 30 31 2 0 0 0 0 31 26 1 0 0 0 0 30 32 1 0 0 0 0 32 33 2 0 0 0 0 33 34 1 0 0 0 0 34 35 2 0 0 0 0 35 36 1 0 0 0 0 36 37 2 0 0 0 0 37 38 1 0 0 0 0 38 33 1 0 0 0 0 38 39 1 0 0 0 0 39 40 2 0 0 0 0 40 32 1 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 45 1 0 0 0 0 45 46 2 0 0 0 0 46 41 1 0 0 0 0 M END > CHEBI:124926 > 3-[[4-(dimethylamino)-1-oxobut-2-enyl]amino]-N-[4-[[4-(2-phenyl-3-pyrazolo[1,5-a]pyridinyl)-2-pyrimidinyl]amino]phenyl]benzamide > 2 > C36H32N8O2 > 608.693 > 608.26482 > 0 > CN(C)CC=CC(=O)NC1=CC=CC(=C1)C(=O)NC2=CC=C(C=C2)NC3=NC=CC(=N3)C4=C5C=CC=CN5N=C4C6=CC=CC=C6 > InChI=1S/C36H32N8O2/c1-43(2)22-9-15-32(45)38-29-13-8-12-26(24-29)35(46)39-27-16-18-28(19-17-27)40-36-37-21-20-30(41-36)33-31-14-6-7-23-44(31)42-34(33)25-10-4-3-5-11-25/h3-21,23-24H,22H2,1-2H3,(H,38,45)(H,39,46)(H,37,40,41) > OCZDPFMSAKKNRH-UHFFFAOYSA-N > LSM-36372 $$$$