53340426 -OEChem-05201911333D 59 61 0 0 0 0 0 0 0999 V2000 3.5448 0.7600 2.7827 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -7.6348 -1.0853 -1.8768 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7144 3.6791 -0.5332 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.3237 -3.2184 -2.8879 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.3195 2.4864 1.3623 N 0 0 0 0 0 0 0 0 0 0 0 0 3.2150 -0.1808 -0.1172 N 0 0 0 0 0 0 0 0 0 0 0 0 -6.4903 -3.0564 -1.5060 N 0 0 0 0 0 0 0 0 0 0 0 0 0.9828 -0.0261 0.5889 N 0 0 0 0 0 0 0 0 0 0 0 0 2.0605 1.8218 -0.5203 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.8780 1.0063 1.3439 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0503 0.3148 0.6450 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7177 2.4494 0.8654 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1881 -1.1405 1.1022 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5743 3.1498 1.5893 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.3311 -1.8671 0.3949 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.1746 -1.9312 -1.1145 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4797 2.8108 0.3031 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2307 2.0141 0.1915 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5572 -1.1960 0.8793 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0274 0.5756 -0.0111 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1461 0.0237 -1.2271 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1350 0.7248 0.6737 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9097 2.5160 -0.4015 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7278 -0.8642 2.2233 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7126 -2.5178 0.4622 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5099 -0.2051 -1.0446 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6699 0.4476 -2.4677 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0539 -1.8542 3.1502 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0388 -3.5080 1.3890 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3977 -0.0098 -2.1028 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5574 0.6428 -3.5258 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2095 -3.1763 2.7330 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9213 0.4141 -3.3434 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0398 0.9925 2.4287 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9621 0.4371 1.1458 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9802 0.8566 0.8550 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8858 0.3574 -0.4375 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5363 2.4595 -0.2164 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6463 3.0043 1.0441 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2479 -1.6716 0.9095 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3610 -1.1713 2.1844 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7503 3.1606 2.6702 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5019 4.1887 1.2496 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.2838 -1.3674 0.6084 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.4191 -2.8841 0.7959 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0432 1.7808 2.0370 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2082 -3.8293 -0.9142 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9687 0.2103 1.1394 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9455 3.5204 -0.8114 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5740 -2.7966 -0.5793 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9203 -0.5138 -0.0874 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6116 0.5940 -2.6635 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1903 -1.6125 4.2012 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1577 -4.5376 1.0646 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4602 -0.1833 -1.9599 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1859 0.9633 -4.4948 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4629 -3.9474 3.4546 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6122 0.5650 -4.1677 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4377 -2.8341 -3.0003 H 0 0 0 0 0 0 0 0 0 0 0 0 1 24 1 0 0 0 0 2 16 2 0 0 0 0 3 17 2 0 0 0 0 4 7 1 0 0 0 0 4 59 1 0 0 0 0 5 14 1 0 0 0 0 5 17 1 0 0 0 0 5 46 1 0 0 0 0 6 19 1 0 0 0 0 6 20 1 0 0 0 0 6 21 1 0 0 0 0 7 16 1 0 0 0 0 7 47 1 0 0 0 0 8 20 2 0 0 0 0 8 22 1 0 0 0 0 9 20 1 0 0 0 0 9 23 2 0 0 0 0 10 11 1 0 0 0 0 10 12 1 0 0 0 0 10 34 1 0 0 0 0 10 35 1 0 0 0 0 11 13 1 0 0 0 0 11 36 1 0 0 0 0 11 37 1 0 0 0 0 12 14 1 0 0 0 0 12 38 1 0 0 0 0 12 39 1 0 0 0 0 13 15 1 0 0 0 0 13 40 1 0 0 0 0 13 41 1 0 0 0 0 14 42 1 0 0 0 0 14 43 1 0 0 0 0 15 16 1 0 0 0 0 15 44 1 0 0 0 0 15 45 1 0 0 0 0 17 18 1 0 0 0 0 18 22 2 0 0 0 0 18 23 1 0 0 0 0 19 24 1 0 0 0 0 19 25 2 0 0 0 0 21 26 2 0 0 0 0 21 27 1 0 0 0 0 22 48 1 0 0 0 0 23 49 1 0 0 0 0 24 28 2 0 0 0 0 25 29 1 0 0 0 0 25 50 1 0 0 0 0 26 30 1 0 0 0 0 26 51 1 0 0 0 0 27 31 2 0 0 0 0 27 52 1 0 0 0 0 28 32 1 0 0 0 0 28 53 1 0 0 0 0 29 32 2 0 0 0 0 29 54 1 0 0 0 0 30 33 2 0 0 0 0 30 55 1 0 0 0 0 31 33 1 0 0 0 0 31 56 1 0 0 0 0 32 57 1 0 0 0 0 33 58 1 0 0 0 0 M END > DB15449 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/VLIUIBXPEDFJRF-UHFFFAOYSA-N/SDF?record_type=3d > ONC(=O)CCCCCCNC(=O)C1=CN=C(N=C1)N(C1=CC=CC=C1)C1=CC=CC=C1Cl > InChI=1S/C24H26ClN5O3/c25-20-12-7-8-13-21(20)30(19-10-4-3-5-11-19)24-27-16-18(17-28-24)23(32)26-15-9-2-1-6-14-22(31)29-33/h3-5,7-8,10-13,16-17,33H,1-2,6,9,14-15H2,(H,26,32)(H,29,31) > VLIUIBXPEDFJRF-UHFFFAOYSA-N > C24H26ClN5O3 > 467.95 > 467.1724174 > 6 > 59 > 50.0314575055195 > 1 > 3 > 0 > 1 > 7-({2-[(2-chlorophenyl)(phenyl)amino]pyrimidin-5-yl}formamido)-N-hydroxyheptanamide > 3.61 > 4.2556817076666675 > -4.69 > 1 > 3 > 0 > 13.419498741379156 > 8.907524813920443 > -1.3265258462891216 > 107.45 > 127.53750000000001 > 11 > 1 > 9.59e-03 g/l > (2R)-14-fluoro-2-methyl-6,9,10,19-tetraazapentacyclo[14.2.1.0^{2,6}.0^{8,18}.0^{12,17}]nonadeca-1(18),8,12(17),13,15-pentaen-11-one > 0 $$$$