15602982 -OEChem-10311712463D 37 39 0 1 0 0 0 0 0999 V2000 5.6358 -2.8884 -0.4389 Cl 0 0 0 0 0 0 0 0 0 0 0 0 1.0576 3.8221 -0.2032 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.8665 -0.6784 -0.6167 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.7328 -1.6176 0.3352 N 0 0 0 0 0 0 0 0 0 0 0 0 1.5784 1.4570 0.3872 C 0 0 1 0 0 0 0 0 0 0 0 0 0.1760 0.9585 0.2926 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6187 0.3438 0.1748 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9162 2.6820 -0.5215 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4518 0.4247 1.4181 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5074 1.0246 -0.9217 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4461 0.0228 0.1153 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3783 -0.5946 -0.7968 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7387 0.3401 0.9674 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7628 -0.0432 1.3293 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8185 0.5567 -1.0103 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7955 -0.4596 0.0232 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3210 -1.6046 -0.9886 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6816 -0.6698 0.7756 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4728 -1.6422 -0.2025 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7316 0.0439 -0.8415 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4623 -1.4779 0.7228 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7067 1.8148 1.4217 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9583 2.9823 -0.3546 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8364 2.4393 -1.5865 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0685 0.3655 2.3705 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0498 1.4155 -1.8245 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5105 -0.5879 -1.4438 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9088 1.0948 1.7284 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2306 -0.4499 2.2226 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3153 0.6079 -1.9759 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3515 4.6286 -0.7526 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1815 4.0812 0.7746 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1480 -2.3530 -1.7577 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5746 -0.6862 1.3952 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7146 0.8344 -1.5791 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0858 -2.1313 1.4973 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7648 -0.5828 -1.0737 H 0 0 0 0 0 0 0 0 0 0 0 0 1 19 1 0 0 0 0 2 8 1 0 0 0 0 2 31 1 0 0 0 0 2 32 1 0 0 0 0 3 4 1 0 0 0 0 3 20 1 0 0 0 0 3 37 1 0 0 0 0 4 21 2 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 5 8 1 0 0 0 0 5 22 1 0 0 0 0 6 9 2 0 0 0 0 6 10 1 0 0 0 0 7 12 2 0 0 0 0 7 13 1 0 0 0 0 8 23 1 0 0 0 0 8 24 1 0 0 0 0 9 14 1 0 0 0 0 9 25 1 0 0 0 0 10 15 2 0 0 0 0 10 26 1 0 0 0 0 11 14 2 0 0 0 0 11 15 1 0 0 0 0 11 16 1 0 0 0 0 12 17 1 0 0 0 0 12 27 1 0 0 0 0 13 18 2 0 0 0 0 13 28 1 0 0 0 0 14 29 1 0 0 0 0 15 30 1 0 0 0 0 16 20 2 0 0 0 0 16 21 1 0 0 0 0 17 19 2 0 0 0 0 17 33 1 0 0 0 0 18 19 1 0 0 0 0 18 34 1 0 0 0 0 20 35 1 0 0 0 0 21 36 1 0 0 0 0 M END > DB07858 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/HWVGILTYGZFGLR-KRWDZBQOSA-N/SDF?record_type=3d > NC[C@H](C1=CC=C(Cl)C=C1)C1=CC=C(C=C1)C1=CNN=C1 > InChI=1S/C17H16ClN3/c18-16-7-5-14(6-8-16)17(9-19)13-3-1-12(2-4-13)15-10-20-21-11-15/h1-8,10-11,17H,9,19H2,(H,20,21)/t17-/m0/s1 > HWVGILTYGZFGLR-KRWDZBQOSA-N > C17H16ClN3 > 297.782 > 297.103275234 > 2 > 37 > 32.291290100015054 > 1 > 2 > 0 > 1 > (2S)-2-(4-chlorophenyl)-2-[4-(1H-pyrazol-4-yl)phenyl]ethan-1-amine > 3.74 > 3.441906286333333 > -4.98 > 0 > 3 > 1 > 14.632422749482494 > 9.680612078719832 > 54.7 > 87.48140000000001 > 4 > 1 > 3.14e-03 g/l > (2S)-2-(4-chlorophenyl)-2-[4-(1H-pyrazol-4-yl)phenyl]ethanamine > 0 $$$$