445843 -OEChem-10051720233D 43 46 0 0 0 0 0 0 0999 V2000 -5.4176 -2.7103 -0.6339 Cl 0 0 0 0 0 0 0 0 0 0 0 0 1.7473 -0.9732 0.2063 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7733 -0.3711 -0.5017 N 0 0 0 0 0 0 0 0 0 0 0 0 -7.1220 -0.9718 0.2041 N 0 3 0 0 0 0 0 0 0 0 0 0 -6.6957 1.2007 0.8859 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.3550 0.8802 -0.1361 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5944 0.7463 0.1403 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1364 -0.4812 -0.3435 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0320 1.2724 -0.2018 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4596 1.5955 0.2654 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9715 0.9046 0.3927 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0544 0.3376 -0.0292 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9904 -1.5624 -0.5891 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3883 0.7400 -0.0973 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8376 -0.1683 0.1513 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3478 2.6107 -0.4425 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3524 -1.3818 -0.3320 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4655 -0.2137 0.0787 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7020 2.0777 -0.3378 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6818 3.0130 -0.5105 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2495 0.0243 0.4203 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9777 -0.4561 1.3520 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9858 -0.8863 -1.0255 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0142 -1.3741 1.5216 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0222 -1.8044 -0.8557 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5363 -2.0483 0.4179 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4661 2.6180 0.6196 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1782 -1.1122 -0.8462 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2907 1.8680 0.7666 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5990 -2.5024 -0.9658 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5756 3.3618 -0.5900 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7361 2.4096 -0.3947 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9262 4.0541 -0.6999 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5814 0.0604 2.2230 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5958 -0.7081 -2.0249 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5456 -1.5148 0.3041 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4144 -1.5643 2.5132 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4288 -2.3296 -1.7150 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3432 -2.7632 0.5500 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.1063 -0.8163 0.3984 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8890 -1.8859 -0.1425 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1128 2.0034 1.0772 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.6872 1.3194 1.0683 H 0 0 0 0 0 0 0 0 0 0 0 0 1 17 1 0 0 0 0 2 12 1 0 0 0 0 2 36 1 0 0 0 0 3 6 1 0 0 0 0 3 8 1 0 0 0 0 3 28 1 0 0 0 0 4 21 2 0 0 0 0 4 40 1 0 0 0 0 4 41 1 0 0 0 0 5 21 1 0 0 0 0 5 42 1 0 0 0 0 5 43 1 0 0 0 0 6 9 1 0 0 0 0 6 10 2 0 0 0 0 7 8 1 0 0 0 0 7 10 1 0 0 0 0 7 11 2 0 0 0 0 8 13 2 0 0 0 0 9 12 1 0 0 0 0 9 16 2 0 0 0 0 10 27 1 0 0 0 0 11 15 1 0 0 0 0 11 29 1 0 0 0 0 12 14 2 0 0 0 0 13 17 1 0 0 0 0 13 30 1 0 0 0 0 14 18 1 0 0 0 0 14 19 1 0 0 0 0 15 17 2 0 0 0 0 15 21 1 0 0 0 0 16 20 1 0 0 0 0 16 31 1 0 0 0 0 18 22 2 0 0 0 0 18 23 1 0 0 0 0 19 20 2 0 0 0 0 19 32 1 0 0 0 0 20 33 1 0 0 0 0 22 24 1 0 0 0 0 22 34 1 0 0 0 0 23 25 2 0 0 0 0 23 35 1 0 0 0 0 24 26 2 0 0 0 0 24 37 1 0 0 0 0 25 26 1 0 0 0 0 25 38 1 0 0 0 0 26 39 1 0 0 0 0 M CHG 1 4 1 M END > DB03865 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/FEKRWNWZMOSVBX-UHFFFAOYSA-O/SDF?record_type=3d > NC(=[NH2+])C1=CC2=C(NC(=C2)C2=CC=CC(=C2O)C2=CC=CC=C2)C=C1Cl > InChI=1S/C21H16ClN3O/c22-17-11-18-13(9-16(17)21(23)24)10-19(25-18)15-8-4-7-14(20(15)26)12-5-2-1-3-6-12/h1-11,25-26H,(H3,23,24)/p+1 > FEKRWNWZMOSVBX-UHFFFAOYSA-O > C21H17ClN3O > 362.832 > 362.106014888 > 2 > 43 > 0.9948560749105393 > 39.74149680955791 > 1 > 4 > 1 > 1 > [amino(6-chloro-2-{2-hydroxy-[1,1'-biphenyl]-3-yl}-1H-indol-5-yl)methylidene]azanium > 2.08 > 3.9732921997274913 > -6.13 > 0 > 1 > 4 > 1 > 14.802339527247891 > 9.268178370828773 > 10.062519407113692 > 87.63000000000001 > 116.5526 > 3 > 1 > 2.97e-04 g/l > biotin > 0 $$$$