2929 -OEChem-10061700043D 44 47 0 0 0 0 0 0 0999 V2000 3.6015 5.1845 1.4994 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -1.5817 -3.2010 0.8928 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.9861 -1.8675 -1.3934 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7026 -0.6667 -1.0699 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.9053 -0.4914 0.5345 N 0 0 0 0 0 0 0 0 0 0 0 0 -6.1509 2.1185 0.0756 N 0 0 0 0 0 0 0 0 0 0 0 0 2.2944 -1.6745 -0.3424 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2664 -2.4187 0.2404 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4038 0.3405 -1.8365 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0389 -1.8225 -0.1627 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3397 -0.7480 -0.9676 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6473 -1.9812 -0.1576 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7049 1.5555 -1.0012 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6027 -3.5235 1.0477 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2958 -2.2269 0.1765 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9567 -3.0814 0.6471 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9518 -3.8422 1.2414 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8979 1.6215 -0.2944 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7848 2.5938 -0.9476 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5201 -1.4939 -0.3300 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1761 2.7473 0.4808 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0631 3.7194 -0.1724 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2588 3.7962 0.5419 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0006 0.3892 0.3797 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2439 1.3464 1.3450 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8091 0.2777 -0.7343 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3288 2.1850 1.1467 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8690 1.1640 -0.8393 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7795 0.6060 -2.6990 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3183 -0.0980 -2.2517 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2972 -0.0358 -1.4762 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4409 -1.4141 -0.6292 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8365 -4.1306 1.5208 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9978 -3.3499 0.8069 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2171 -4.6939 1.8620 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6324 0.8254 -0.3424 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8503 2.5447 -1.4994 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1135 2.7951 1.0291 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3388 4.5290 -0.1340 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3516 -0.3572 1.3779 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6211 1.4505 2.2264 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6857 -0.4416 -1.5293 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5727 2.9576 1.8685 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5415 1.1285 -1.6903 H 0 0 0 0 0 0 0 0 0 0 0 0 1 23 1 0 0 0 0 2 15 2 0 0 0 0 3 20 2 0 0 0 0 4 7 1 0 0 0 0 4 9 1 0 0 0 0 4 11 1 0 0 0 0 5 20 1 0 0 0 0 5 24 1 0 0 0 0 5 40 1 0 0 0 0 6 27 2 0 0 0 0 6 28 1 0 0 0 0 7 8 1 0 0 0 0 7 12 2 0 0 0 0 8 10 1 0 0 0 0 8 14 2 0 0 0 0 9 13 1 0 0 0 0 9 29 1 0 0 0 0 9 30 1 0 0 0 0 10 11 2 0 0 0 0 10 15 1 0 0 0 0 11 31 1 0 0 0 0 12 16 1 0 0 0 0 12 32 1 0 0 0 0 13 18 2 0 0 0 0 13 19 1 0 0 0 0 14 17 1 0 0 0 0 14 33 1 0 0 0 0 15 20 1 0 0 0 0 16 17 2 0 0 0 0 16 34 1 0 0 0 0 17 35 1 0 0 0 0 18 21 1 0 0 0 0 18 36 1 0 0 0 0 19 22 2 0 0 0 0 19 37 1 0 0 0 0 21 23 2 0 0 0 0 21 38 1 0 0 0 0 22 23 1 0 0 0 0 22 39 1 0 0 0 0 24 25 2 0 0 0 0 24 26 1 0 0 0 0 25 27 1 0 0 0 0 25 41 1 0 0 0 0 26 28 2 0 0 0 0 26 42 1 0 0 0 0 27 43 1 0 0 0 0 28 44 1 0 0 0 0 M END > DB06169 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/SOLIIYNRSAWTSQ-UHFFFAOYSA-N/SDF?record_type=3d > ClC1=CC=C(CN2C=C(C(=O)C(=O)NC3=CC=NC=C3)C3=CC=CC=C23)C=C1 > InChI=1S/C22H16ClN3O2/c23-16-7-5-15(6-8-16)13-26-14-19(18-3-1-2-4-20(18)26)21(27)22(28)25-17-9-11-24-12-10-17/h1-12,14H,13H2,(H,24,25,28) > SOLIIYNRSAWTSQ-UHFFFAOYSA-N > C22H16ClN3O2 > 389.84 > 389.0931045 > 3 > 44 > 39.85350522025271 > 1 > 1 > 0 > 1 > 2-{1-[(4-chlorophenyl)methyl]-1H-indol-3-yl}-2-oxo-N-(pyridin-4-yl)acetamide > 3.98 > 4.3580728026666655 > -5.41 > 0 > 4 > 0 > 11.219854923845645 > 5.512413349550984 > 63.99 > 109.77669999999998 > 5 > 1 > 1.51e-03 g/l > indibulin > 0 $$$$