51039095 -OEChem-09222321183D 67 70 0 1 0 0 0 0 0999 V2000 -0.5019 -0.2481 1.4130 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.3921 -3.2686 0.8818 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.3761 -1.7561 -2.4944 O 0 0 0 0 0 0 0 0 0 0 0 0 5.7091 -0.2243 0.1409 N 0 0 0 0 0 0 0 0 0 0 0 0 8.4525 -0.7772 -0.3964 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.3370 1.8110 0.2998 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.3647 3.4789 -0.0226 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.0399 3.4401 -0.2449 N 0 0 0 0 0 0 0 0 0 0 0 0 7.8551 -1.1903 0.8776 C 0 0 1 0 0 0 0 0 0 0 0 0 7.8490 0.4733 -0.8693 C 0 0 2 0 0 0 0 0 0 0 0 0 6.3435 -1.4119 0.7238 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3382 0.2999 -1.0793 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5382 -2.4685 1.3604 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5276 0.8943 -2.1715 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3361 -0.0160 0.3128 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4753 -1.1058 0.4429 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8285 1.2826 0.3533 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1068 -0.8971 0.6136 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4599 1.4913 0.5240 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5991 0.4015 0.6543 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1725 0.6188 0.8335 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2690 2.2389 0.9791 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1215 1.5267 -0.1013 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8446 2.3872 0.6398 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6749 2.2767 0.3001 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6858 0.1033 -0.3506 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7581 1.5779 0.8659 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7210 -0.1716 -1.3196 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2475 -0.9374 0.3891 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8445 -2.2530 0.1596 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3179 -1.4872 -1.5491 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8798 -2.5278 -0.8096 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.3724 -2.9164 1.8570 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8429 -0.6451 -3.2137 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0313 -0.4068 1.6268 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0232 1.2610 -0.1241 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9240 -1.6222 1.7162 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1521 -2.2837 0.0840 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1385 -0.3929 -1.9079 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9149 1.2702 -1.3653 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4574 -0.6495 -0.2782 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6124 -2.3094 1.5060 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1182 -2.7919 2.3190 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4118 -3.2882 0.6441 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4012 0.1381 -2.9545 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6019 1.0507 -2.0225 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1041 1.8346 -2.5406 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8336 -2.1304 0.4004 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4860 2.1448 0.2765 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4528 -1.7605 0.7047 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1179 2.5197 0.5906 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3573 1.6889 1.9252 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7083 3.2278 1.1634 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1744 1.5380 0.2082 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0809 2.0922 -1.0415 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2821 2.4439 -0.1978 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7810 0.6249 1.3727 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8818 4.2842 -0.3530 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3225 0.6727 -1.8722 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9907 -0.6660 1.1315 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5655 -3.5530 -0.9883 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.7000 -3.8453 2.3354 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.2574 -2.4666 1.3942 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9480 -2.2844 2.6445 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1073 -1.0416 -3.9212 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3084 0.0444 -2.5511 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6144 -0.1401 -3.8047 H 0 0 0 0 0 0 0 0 0 0 0 0 1 21 2 0 0 0 0 2 30 1 0 0 0 0 2 33 1 0 0 0 0 3 31 1 0 0 0 0 3 34 1 0 0 0 0 4 11 1 0 0 0 0 4 12 1 0 0 0 0 4 15 1 0 0 0 0 5 9 1 0 0 0 0 5 10 1 0 0 0 0 5 41 1 0 0 0 0 6 21 1 0 0 0 0 6 25 1 0 0 0 0 6 56 1 0 0 0 0 7 8 1 0 0 0 0 7 24 1 0 0 0 0 7 58 1 0 0 0 0 8 25 2 0 0 0 0 9 11 1 0 0 0 0 9 13 1 0 0 0 0 9 35 1 0 0 0 0 10 12 1 0 0 0 0 10 14 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 12 39 1 0 0 0 0 12 40 1 0 0 0 0 13 42 1 0 0 0 0 13 43 1 0 0 0 0 13 44 1 0 0 0 0 14 45 1 0 0 0 0 14 46 1 0 0 0 0 14 47 1 0 0 0 0 15 16 2 0 0 0 0 15 17 1 0 0 0 0 16 18 1 0 0 0 0 16 48 1 0 0 0 0 17 19 2 0 0 0 0 17 49 1 0 0 0 0 18 20 2 0 0 0 0 18 50 1 0 0 0 0 19 20 1 0 0 0 0 19 51 1 0 0 0 0 20 21 1 0 0 0 0 22 23 1 0 0 0 0 22 24 1 0 0 0 0 22 52 1 0 0 0 0 22 53 1 0 0 0 0 23 26 1 0 0 0 0 23 54 1 0 0 0 0 23 55 1 0 0 0 0 24 27 2 0 0 0 0 25 27 1 0 0 0 0 26 28 2 0 0 0 0 26 29 1 0 0 0 0 27 57 1 0 0 0 0 28 31 1 0 0 0 0 28 59 1 0 0 0 0 29 30 2 0 0 0 0 29 60 1 0 0 0 0 30 32 1 0 0 0 0 31 32 2 0 0 0 0 32 61 1 0 0 0 0 33 62 1 0 0 0 0 33 63 1 0 0 0 0 33 64 1 0 0 0 0 34 65 1 0 0 0 0 34 66 1 0 0 0 0 34 67 1 0 0 0 0 M END > DB12247 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/VRQMAABPASPXMW-HDICACEKSA-N/SDF?record_type=3d > COC1=CC(OC)=CC(CCC2=CC(NC(=O)C3=CC=C(C=C3)N3C[C@H](C)N[C@H](C)C3)=NN2)=C1 > InChI=1S/C26H33N5O3/c1-17-15-31(16-18(2)27-17)22-9-6-20(7-10-22)26(32)28-25-13-21(29-30-25)8-5-19-11-23(33-3)14-24(12-19)34-4/h6-7,9-14,17-18,27H,5,8,15-16H2,1-4H3,(H2,28,29,30,32)/t17-,18+ > VRQMAABPASPXMW-HDICACEKSA-N > C26H33N5O3 > 463.582 > 463.258339943 > 6 > 67 > 2.0062352205946508 > 53.71970188912474 > 1 > 3 > 0 > 0 > N-{5-[2-(3,5-dimethoxyphenyl)ethyl]-1H-pyrazol-3-yl}-4-[(3R,5S)-3,5-dimethylpiperazin-1-yl]benzamide > 4.3541515176666685 > 1 > 1 > 4 > 1 > 15.403429812884676 > 14.160802701134696 > 8.965795691829475 > 91.51 > 136.9101 > 8 > 1 > N-{5-[2-(3,5-dimethoxyphenyl)ethyl]-1H-pyrazol-3-yl}-4-[(3R,5S)-3,5-dimethylpiperazin-1-yl]benzamide > 0 $$$$