121410180 -OEChem-09082317003D 60 63 0 0 0 0 0 0 0999 V2000 -9.2246 1.8481 -0.6856 O 0 0 0 0 0 0 0 0 0 0 0 0 8.8818 0.8637 -1.2341 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1263 -1.7742 -1.7100 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.7884 0.5523 -0.1520 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.7090 -1.7063 0.5148 N 0 0 0 0 0 0 0 0 0 0 0 0 2.9168 -0.1798 0.5707 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.2276 -0.4205 1.9092 N 0 0 0 0 0 0 0 0 0 0 0 0 1.0261 0.0502 2.0228 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.0508 -2.4920 -1.7696 N 0 0 0 0 0 0 0 0 0 0 0 0 -7.4813 0.3347 -1.4294 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.1313 1.7995 0.5399 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.9781 0.5594 -1.2480 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.6470 1.9468 0.6157 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5196 -0.0121 0.0153 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4199 0.8074 0.2700 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3538 -1.3943 -0.0729 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9889 -1.1375 0.3487 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1546 0.2446 0.4369 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0886 -1.9571 0.0938 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4429 -1.1467 0.7747 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8663 0.5882 1.3684 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1988 0.6617 0.6758 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7530 -1.1512 0.0993 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6204 -0.3996 0.9143 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5849 1.8345 0.0269 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0498 -0.4434 0.6836 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8217 1.9023 -0.6142 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2867 -0.3758 0.0423 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6728 0.7972 -0.6064 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0010 -1.7978 -1.1566 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2159 3.1665 -1.3047 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1842 -1.5691 0.0605 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.0857 1.0460 -2.1650 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3222 -0.6757 -1.8212 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7264 1.8141 1.5587 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7137 2.6476 -0.0168 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.4828 0.5140 -2.2183 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.4229 -0.2102 -0.6055 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.0900 1.1856 1.2695 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.9068 2.9277 1.0261 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5098 1.8884 0.3291 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2005 -2.0504 -0.2576 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3171 0.9111 0.6212 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9747 -3.0359 0.0253 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9956 0.1223 2.3534 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4742 1.5976 1.5440 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7044 -2.6909 0.2559 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2812 -0.5623 -0.2994 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9184 2.6938 0.0207 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7442 -1.3556 1.1908 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8884 -0.2088 2.6462 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4389 3.9341 -1.2175 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3733 2.9898 -2.3739 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1272 3.5811 -0.8609 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1334 -1.3238 0.5484 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3827 -1.9113 -0.9606 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7400 -2.4074 0.6079 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0216 1.7323 -1.6412 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0004 -2.5052 -1.4225 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1046 -2.9729 -2.6498 H 0 0 0 0 0 0 0 0 0 0 0 0 1 12 1 0 0 0 0 1 13 1 0 0 0 0 2 29 1 0 0 0 0 2 58 1 0 0 0 0 3 30 2 0 0 0 0 4 10 1 0 0 0 0 4 11 1 0 0 0 0 4 14 1 0 0 0 0 5 17 1 0 0 0 0 5 20 1 0 0 0 0 5 47 1 0 0 0 0 6 21 1 0 0 0 0 6 24 1 0 0 0 0 6 48 1 0 0 0 0 7 8 1 0 0 0 0 7 20 1 0 0 0 0 7 51 1 0 0 0 0 8 24 2 0 0 0 0 9 30 1 0 0 0 0 9 59 1 0 0 0 0 9 60 1 0 0 0 0 10 12 1 0 0 0 0 10 33 1 0 0 0 0 10 34 1 0 0 0 0 11 13 1 0 0 0 0 11 35 1 0 0 0 0 11 36 1 0 0 0 0 12 37 1 0 0 0 0 12 38 1 0 0 0 0 13 39 1 0 0 0 0 13 40 1 0 0 0 0 14 15 2 0 0 0 0 14 16 1 0 0 0 0 15 18 1 0 0 0 0 15 41 1 0 0 0 0 16 19 2 0 0 0 0 16 42 1 0 0 0 0 17 18 2 0 0 0 0 17 19 1 0 0 0 0 18 43 1 0 0 0 0 19 44 1 0 0 0 0 20 23 2 0 0 0 0 21 22 1 0 0 0 0 21 45 1 0 0 0 0 21 46 1 0 0 0 0 22 25 2 0 0 0 0 22 26 1 0 0 0 0 23 24 1 0 0 0 0 23 30 1 0 0 0 0 25 27 1 0 0 0 0 25 49 1 0 0 0 0 26 28 2 0 0 0 0 26 50 1 0 0 0 0 27 29 2 0 0 0 0 27 31 1 0 0 0 0 28 29 1 0 0 0 0 28 32 1 0 0 0 0 31 52 1 0 0 0 0 31 53 1 0 0 0 0 31 54 1 0 0 0 0 32 55 1 0 0 0 0 32 56 1 0 0 0 0 32 57 1 0 0 0 0 M END > DB18063 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/AWTYZRBONKSIES-UHFFFAOYSA-N/SDF?record_type=3d > CC1=CC(CNC2=C(C(N)=O)C(NC3=CC=C(C=C3)N3CCOCC3)=NN2)=CC(C)=C1O > InChI=1S/C23H28N6O3/c1-14-11-16(12-15(2)20(14)30)13-25-22-19(21(24)31)23(28-27-22)26-17-3-5-18(6-4-17)29-7-9-32-10-8-29/h3-6,11-12,30H,7-10,13H2,1-2H3,(H2,24,31)(H3,25,26,27,28) > AWTYZRBONKSIES-UHFFFAOYSA-N > C23H28N6O3 > 436.516 > 436.222288786 > 7 > 60 > 2.1209143590071715 > 48.622068451058226 > 1 > 5 > 0 > 1 > 5-{[(4-hydroxy-3,5-dimethylphenyl)methyl]amino}-3-{[4-(morpholin-4-yl)phenyl]amino}-1H-pyrazole-4-carboxamide > 5.0118165249999995 > 1 > 0 > 4 > 0 > 12.579667930136248 > 10.207374180607204 > 4.808498093493761 > 128.52999999999997 > 127.24959999999999 > 7 > 0 > 3-{[(4-hydroxy-3,5-dimethylphenyl)methyl]amino}-5-{[4-(morpholin-4-yl)phenyl]amino}-2H-pyrazole-4-carboxamide > 0 $$$$