10915062 -OEChem-10051720523D 49 51 0 0 0 0 0 0 0999 V2000 -1.6016 -1.8814 -0.4796 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0080 0.2570 0.0963 N 0 0 0 0 0 0 0 0 0 0 0 0 3.1749 -0.3924 -0.0552 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.3477 -0.1257 0.4497 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.6583 -0.0035 0.4239 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.3154 4.3762 -0.9131 N 0 0 0 0 0 0 0 0 0 0 0 0 3.8454 -2.7280 -0.0854 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7744 -1.6298 0.0378 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5268 -3.6540 -1.2820 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8933 -3.5760 1.2067 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2733 -2.1785 -0.3129 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4384 -1.8469 0.2383 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9371 -0.5686 0.2756 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9850 1.6520 0.0598 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8524 2.3063 -0.4058 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0960 2.3660 0.4886 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5461 -0.7873 0.0720 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8303 3.7007 -0.4433 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0740 3.7600 0.4511 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9412 4.4274 -0.0147 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0284 -0.2952 0.2256 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9832 0.6158 0.6469 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3867 -1.4852 -0.3863 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.3340 0.3286 0.4512 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7377 -1.7722 -0.5821 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.7113 -0.8653 -0.1634 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4849 -3.0863 -2.2190 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5589 -4.1532 -1.1574 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2864 -4.4360 -1.3955 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1182 -2.9516 2.0793 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6602 -4.3566 1.1442 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9350 -4.0729 1.3971 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5905 -1.5338 0.5154 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3325 -1.5882 -1.2350 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0056 -2.9902 -0.3956 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8909 -2.7715 0.3482 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4680 0.8100 0.8210 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0104 1.7933 -0.8586 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9887 1.8752 0.8673 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9378 4.3262 0.7871 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9361 5.5141 -0.0379 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4628 0.8850 0.8786 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1221 3.8510 -1.2231 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3305 5.3870 -0.9416 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7001 1.5487 1.1264 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6979 -2.2380 -0.7385 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0922 1.0347 0.7771 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0331 -2.7016 -1.0606 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.7631 -1.0888 -0.3159 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 37 1 0 0 0 0 5 17 1 0 0 0 0 5 21 1 0 0 0 0 5 42 1 0 0 0 0 6 18 1 0 0 0 0 6 43 1 0 0 0 0 6 44 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 27 1 0 0 0 0 9 28 1 0 0 0 0 9 29 1 0 0 0 0 10 30 1 0 0 0 0 10 31 1 0 0 0 0 10 32 1 0 0 0 0 11 33 1 0 0 0 0 11 34 1 0 0 0 0 11 35 1 0 0 0 0 12 13 2 0 0 0 0 12 36 1 0 0 0 0 14 15 1 0 0 0 0 14 16 2 0 0 0 0 15 18 2 0 0 0 0 15 38 1 0 0 0 0 16 19 1 0 0 0 0 16 39 1 0 0 0 0 18 20 1 0 0 0 0 19 20 2 0 0 0 0 19 40 1 0 0 0 0 20 41 1 0 0 0 0 21 22 2 0 0 0 0 21 23 1 0 0 0 0 22 24 1 0 0 0 0 22 45 1 0 0 0 0 23 25 2 0 0 0 0 23 46 1 0 0 0 0 24 26 2 0 0 0 0 24 47 1 0 0 0 0 25 26 1 0 0 0 0 25 48 1 0 0 0 0 26 49 1 0 0 0 0 M END > DB06883 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/DHNYNLNKNQJSHF-UHFFFAOYSA-N/SDF?record_type=3d > CC(C)(C)C1=NN(C(NC(=O)NC2=CC=CC=C2)=C1)C1=CC=CC(N)=C1 > InChI=1S/C20H23N5O/c1-20(2,3)17-13-18(23-19(26)22-15-9-5-4-6-10-15)25(24-17)16-11-7-8-14(21)12-16/h4-13H,21H2,1-3H3,(H2,22,23,26) > DHNYNLNKNQJSHF-UHFFFAOYSA-N > C20H23N5O > 349.4295 > 349.190260383 > 3 > 49 > 0.0015874855817649845 > 37.766822794479 > 1 > 3 > 0 > 1 > 3-[1-(3-aminophenyl)-3-tert-butyl-1H-pyrazol-5-yl]-1-phenylurea > 3.64 > 4.395745318333335 > -4.25 > 0 > 0 > 3 > 0 > 18.95068916957893 > 11.383694373666849 > 4.21365027340539 > 84.97 > 106.6621 > 4 > 1 > 1.98e-02 g/l > biotin > 0 $$$$