9865515 -OEChem-10051722353D 50 53 0 0 0 0 0 0 0999 V2000 -4.6547 -1.6714 -1.5299 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9271 0.9558 -0.4408 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.9744 -0.0563 0.1417 N 0 0 0 0 0 0 0 0 0 0 0 0 4.1828 0.4157 -0.0846 N 0 0 0 0 0 0 0 0 0 0 0 0 3.5341 2.6352 -0.7628 N 0 0 0 0 0 0 0 0 0 0 0 0 -6.2101 1.7185 1.9863 N 0 0 0 0 0 0 0 0 0 0 0 0 8.6784 -1.0524 0.0764 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0054 -0.5063 -0.2627 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4835 -0.3807 -0.1087 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7592 -0.7435 -0.5514 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8346 -0.2307 0.8161 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5369 -0.9005 -1.4859 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2170 -0.3494 0.6719 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9192 -1.0190 -1.6303 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2006 -0.8653 -0.7020 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.3856 0.0221 0.2375 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2546 1.3473 -0.4292 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.9794 0.8891 1.1400 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4662 0.8314 -0.0835 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.1459 -0.7879 -0.5911 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4355 -0.1730 0.2842 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.3709 0.9481 1.2165 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8569 2.1150 -0.4061 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.5374 -0.7288 -0.5147 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.1499 0.1392 0.3891 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8376 2.9828 -0.7409 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1066 -1.2007 1.1617 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7236 -0.1443 -0.2262 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0618 -2.1539 1.4971 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3216 -2.0362 0.9323 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7707 -0.6282 0.9215 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9823 -1.1168 -0.7525 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4236 0.0707 1.7761 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1068 -1.1152 -2.3349 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8266 -0.1616 1.5508 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3214 -1.3217 -2.5936 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2459 1.6625 -0.6949 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4819 0.5968 0.7392 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7578 -1.4857 -1.3166 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.8617 1.6201 1.9161 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8812 2.4644 -0.3886 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.1455 -1.3580 -1.1583 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.2334 0.1852 0.4485 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0464 4.0143 -1.0041 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1182 -1.2798 1.6074 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0591 0.6073 -0.9341 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2020 1.6865 1.9924 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6821 2.3352 2.6351 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8285 -2.9621 2.1806 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1024 -2.7537 1.1622 H 0 0 0 0 0 0 0 0 0 0 0 0 1 15 2 0 0 0 0 2 9 1 0 0 0 0 2 17 1 0 0 0 0 2 37 1 0 0 0 0 3 15 1 0 0 0 0 3 16 1 0 0 0 0 3 38 1 0 0 0 0 4 17 1 0 0 0 0 4 19 2 0 0 0 0 5 17 2 0 0 0 0 5 26 1 0 0 0 0 6 18 1 0 0 0 0 6 47 1 0 0 0 0 6 48 1 0 0 0 0 7 28 1 0 0 0 0 7 30 2 0 0 0 0 8 9 1 0 0 0 0 8 11 2 0 0 0 0 8 12 1 0 0 0 0 9 31 1 0 0 0 0 9 32 1 0 0 0 0 10 13 2 0 0 0 0 10 14 1 0 0 0 0 10 15 1 0 0 0 0 11 13 1 0 0 0 0 11 33 1 0 0 0 0 12 14 2 0 0 0 0 12 34 1 0 0 0 0 13 35 1 0 0 0 0 14 36 1 0 0 0 0 16 18 1 0 0 0 0 16 20 2 0 0 0 0 18 22 2 0 0 0 0 19 21 1 0 0 0 0 19 23 1 0 0 0 0 20 24 1 0 0 0 0 20 39 1 0 0 0 0 21 27 1 0 0 0 0 21 28 2 0 0 0 0 22 25 1 0 0 0 0 22 40 1 0 0 0 0 23 26 2 0 0 0 0 23 41 1 0 0 0 0 24 25 2 0 0 0 0 24 42 1 0 0 0 0 25 43 1 0 0 0 0 26 44 1 0 0 0 0 27 29 2 0 0 0 0 27 45 1 0 0 0 0 28 46 1 0 0 0 0 29 30 1 0 0 0 0 29 49 1 0 0 0 0 30 50 1 0 0 0 0 M END > DB11830 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/HRNLUBSXIHFDHP-UHFFFAOYSA-N/SDF?record_type=3d > NC1=CC=CC=C1NC(=O)C1=CC=C(CNC2=NC=CC(=N2)C2=CC=CN=C2)C=C1 > InChI=1S/C23H20N6O/c24-19-5-1-2-6-21(19)28-22(30)17-9-7-16(8-10-17)14-27-23-26-13-11-20(29-23)18-4-3-12-25-15-18/h1-13,15H,14,24H2,(H,28,30)(H,26,27,29) > HRNLUBSXIHFDHP-UHFFFAOYSA-N > C23H20N6O > 396.454 > 396.169859288 > 6 > 50 > 42.56152858914368 > 1 > 3 > 0 > 1 > N-(2-aminophenyl)-4-({[4-(pyridin-3-yl)pyrimidin-2-yl]amino}methyl)benzamide > 3.01 > 3.0041348350000003 > -4.67 > 1 > 4 > 0 > 14.691237548389996 > 13.977066644980546 > 4.372973930832874 > 105.82 > 120.31589999999998 > 6 > 1 > 8.54e-03 g/l > mocetinostat > 0 $$$$