15942655 -OEChem-10051720593D 45 48 0 0 0 0 0 0 0999 V2000 -0.1430 -0.0453 0.8663 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3540 -2.6014 -1.7664 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.6052 -0.6503 -0.0187 N 0 0 0 0 0 0 0 0 0 0 0 0 -6.5981 -1.4517 0.4921 N 0 0 0 0 0 0 0 0 0 0 0 0 4.9393 -2.1596 -0.1220 N 0 0 0 0 0 0 0 0 0 0 0 0 3.9728 -4.2412 -0.2837 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.6197 0.6961 -0.2674 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4091 1.4414 -0.5144 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9624 1.7898 -0.1964 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1955 1.0546 0.0572 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8871 -1.1090 0.1825 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7409 -0.0122 0.0560 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2328 1.4059 0.3865 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9283 1.1199 -0.2280 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4606 2.5654 -1.3406 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9088 2.9127 -1.0221 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0725 0.5266 -0.2945 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2950 0.1574 0.2665 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3026 3.3005 -1.5943 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6110 1.9174 1.6263 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3535 -2.3899 0.4633 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1966 -0.7829 -0.4601 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1148 -0.2158 0.2185 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6754 0.6681 1.5075 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8335 1.5482 2.1874 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7292 -2.4825 0.6050 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0334 -2.9619 -0.8067 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7801 -1.2339 0.0088 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2779 2.1328 -0.3789 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3877 2.8878 -1.8083 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8015 3.4975 -1.2317 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7781 0.1296 -1.2636 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3437 4.1737 -2.2390 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9659 2.6038 2.1696 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6971 -3.2445 0.5629 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0936 -0.6511 -1.5440 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2457 -0.5767 -0.2184 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8464 0.5791 0.1372 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6245 0.3869 1.9563 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1295 1.9453 3.1539 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1905 -3.4409 0.8252 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7560 -0.2066 1.1917 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4304 -2.5580 0.6726 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5412 -4.5203 0.5088 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3548 -4.9417 -0.6793 H 0 0 0 0 0 0 0 0 0 0 0 0 1 10 1 0 0 0 0 1 42 1 0 0 0 0 2 27 2 0 0 0 0 3 7 1 0 0 0 0 3 11 1 0 0 0 0 3 28 1 0 0 0 0 4 23 2 0 0 0 0 4 26 1 0 0 0 0 5 22 1 0 0 0 0 5 27 1 0 0 0 0 5 43 1 0 0 0 0 6 27 1 0 0 0 0 6 44 1 0 0 0 0 6 45 1 0 0 0 0 7 8 1 0 0 0 0 7 14 2 0 0 0 0 8 10 1 0 0 0 0 8 15 2 0 0 0 0 9 10 2 0 0 0 0 9 13 1 0 0 0 0 9 16 1 0 0 0 0 11 12 2 0 0 0 0 11 21 1 0 0 0 0 12 14 1 0 0 0 0 12 23 1 0 0 0 0 13 17 1 0 0 0 0 13 20 2 0 0 0 0 14 29 1 0 0 0 0 15 19 1 0 0 0 0 15 30 1 0 0 0 0 16 19 2 0 0 0 0 16 31 1 0 0 0 0 17 18 2 0 0 0 0 17 32 1 0 0 0 0 18 22 1 0 0 0 0 18 24 1 0 0 0 0 19 33 1 0 0 0 0 20 25 1 0 0 0 0 20 34 1 0 0 0 0 21 26 2 0 0 0 0 21 35 1 0 0 0 0 22 36 1 0 0 0 0 22 37 1 0 0 0 0 23 38 1 0 0 0 0 24 25 2 0 0 0 0 24 39 1 0 0 0 0 25 40 1 0 0 0 0 26 41 1 0 0 0 0 M END > DB07247 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/SRPOHNDQBDHONJ-UHFFFAOYSA-N/SDF?record_type=3d > NC(=O)NCC1=CC(=CC=C1)C1=C(O)C(=CC=C1)C1=CC2=C(N1)C=CN=C2 > InChI=1S/C21H18N4O2/c22-21(27)24-11-13-3-1-4-14(9-13)16-5-2-6-17(20(16)26)19-10-15-12-23-8-7-18(15)25-19/h1-10,12,25-26H,11H2,(H3,22,24,27) > SRPOHNDQBDHONJ-UHFFFAOYSA-N > C21H18N4O2 > 358.3932 > 358.14297584 > 3 > 45 > 0.9385147274024725 > 38.949196073030066 > 1 > 4 > 0 > 1 > [(2'-hydroxy-3'-{1H-pyrrolo[3,2-c]pyridin-2-yl}-[1,1'-biphenyl]-3-yl)methyl]urea > 2.69 > 2.1635631097733845 > -4.81 > 0 > 1 > 4 > 1 > 13.458001281830489 > 9.416051777887965 > 8.21563934697564 > 104.02999999999999 > 103.7123 > 4 > 1 > 5.60e-03 g/l > biotin > 0 $$$$