25174101 -OEChem-10051720523D 55 58 0 0 0 0 0 0 0999 V2000 -0.6024 -2.3744 -0.0128 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8022 0.3231 0.0964 N 0 0 0 0 0 0 0 0 0 0 0 0 4.0299 -0.1978 -0.0696 N 0 0 0 0 0 0 0 0 0 0 0 0 0.4287 -0.2855 0.1942 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.8662 -0.4363 0.3492 N 0 0 0 0 0 0 0 0 0 0 0 0 1.0020 4.5992 -1.3056 N 0 0 0 0 0 0 0 0 0 0 0 0 4.9072 -2.4329 -0.4437 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7870 -1.5012 -0.2308 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7884 -3.1870 -1.8124 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9769 -3.5289 0.6743 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3437 -1.7921 -0.4644 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4149 -1.8102 -0.1685 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8001 -0.6009 0.0459 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6568 1.6968 0.2967 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9062 2.4572 -0.6001 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2624 2.3091 1.3938 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6682 -1.1612 0.1580 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1801 -0.9189 0.3836 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2682 -0.1323 -0.0284 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7610 3.8298 -0.3993 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5745 -0.6737 0.0296 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1174 3.6819 1.5946 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3666 4.4421 0.6979 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3771 -2.2203 0.8464 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0886 1.1795 -0.4968 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7543 -1.9855 0.4976 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6617 -2.7527 0.9030 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.6627 0.1127 -0.3824 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1813 1.9466 -0.9018 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4659 1.4142 -0.8447 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8609 -3.7690 -1.8629 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7782 -2.4759 -2.6466 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6236 -3.8798 -1.9651 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8113 -4.2201 0.5103 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1046 -3.0681 1.6608 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0556 -4.1219 0.7034 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1214 -2.5469 -0.6269 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4263 -1.0470 -1.2642 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5587 -1.2874 0.4848 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9485 -2.7795 -0.2664 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2219 0.6935 0.3667 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4394 1.9886 -1.4644 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8476 1.7311 2.1051 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7543 0.5694 0.2841 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5880 4.1584 2.4495 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2608 5.5109 0.8655 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5647 -2.8400 1.2121 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1124 1.6481 -0.5757 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7497 -2.4213 0.5527 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8162 -3.7626 1.2721 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.6756 -0.2830 -0.3466 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0292 2.9592 -1.2644 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3161 2.0117 -1.1608 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8962 5.5943 -1.1599 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5614 4.1560 -2.1008 H 0 0 0 0 0 0 0 0 0 0 0 0 1 17 2 0 0 0 0 2 3 1 0 0 0 0 2 13 1 0 0 0 0 2 14 1 0 0 0 0 3 8 2 0 0 0 0 4 13 1 0 0 0 0 4 17 1 0 0 0 0 4 41 1 0 0 0 0 5 17 1 0 0 0 0 5 18 1 0 0 0 0 5 44 1 0 0 0 0 6 20 1 0 0 0 0 6 54 1 0 0 0 0 6 55 1 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 7 10 1 0 0 0 0 7 11 1 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 9 33 1 0 0 0 0 10 34 1 0 0 0 0 10 35 1 0 0 0 0 10 36 1 0 0 0 0 11 37 1 0 0 0 0 11 38 1 0 0 0 0 11 39 1 0 0 0 0 12 13 2 0 0 0 0 12 40 1 0 0 0 0 14 15 1 0 0 0 0 14 16 2 0 0 0 0 15 20 2 0 0 0 0 15 42 1 0 0 0 0 16 22 1 0 0 0 0 16 43 1 0 0 0 0 18 19 1 0 0 0 0 18 24 2 0 0 0 0 19 21 1 0 0 0 0 19 25 2 0 0 0 0 20 23 1 0 0 0 0 21 26 1 0 0 0 0 21 28 2 0 0 0 0 22 23 2 0 0 0 0 22 45 1 0 0 0 0 23 46 1 0 0 0 0 24 27 1 0 0 0 0 24 47 1 0 0 0 0 25 29 1 0 0 0 0 25 48 1 0 0 0 0 26 27 2 0 0 0 0 26 49 1 0 0 0 0 27 50 1 0 0 0 0 28 30 1 0 0 0 0 28 51 1 0 0 0 0 29 30 2 0 0 0 0 29 52 1 0 0 0 0 30 53 1 0 0 0 0 M END > DB06882 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/HJWMLCDGRWWLAQ-UHFFFAOYSA-N/SDF?record_type=3d > CC(C)(C)C1=NN(C(NC(=O)NC2=C3C=CC=CC3=CC=C2)=C1)C1=CC=CC(N)=C1 > InChI=1S/C24H25N5O/c1-24(2,3)21-15-22(29(28-21)18-11-7-10-17(25)14-18)27-23(30)26-20-13-6-9-16-8-4-5-12-19(16)20/h4-15H,25H2,1-3H3,(H2,26,27,30) > HJWMLCDGRWWLAQ-UHFFFAOYSA-N > C24H25N5O > 399.4882 > 399.205910447 > 3 > 55 > 0.0016758415187187125 > 43.68166640824013 > 1 > 3 > 0 > 1 > 3-[1-(3-aminophenyl)-3-tert-butyl-1H-pyrazol-5-yl]-1-(naphthalen-1-yl)urea > 4.36 > 5.385222075000001 > -4.88 > 0 > 0 > 4 > 0 > 18.745124931193875 > 11.137298717827354 > 4.244481539456436 > 84.97 > 123.11229999999998 > 4 > 0 > 5.28e-03 g/l > tetrahydrofolic acid > 0 $$$$