38668 -OEChem-10061700313D 38 40 0 1 0 0 0 0 0999 V2000 -0.1567 -4.6364 1.3878 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -2.9136 1.9019 1.2613 F 0 0 0 0 0 0 0 0 0 0 0 0 1.0906 3.0397 2.2370 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4095 2.9165 -0.0122 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9136 0.8326 -3.0080 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2751 0.6017 -0.1889 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.3571 1.5982 0.9313 N 0 0 0 0 0 0 0 0 0 0 0 0 1.6472 -0.6416 0.1651 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2920 -0.7388 0.5400 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3899 0.5603 -1.1359 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6390 0.4247 0.4767 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9273 1.8436 0.3618 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9507 1.8097 1.5290 C 0 0 1 0 0 0 0 0 0 0 0 0 2.3993 -1.8324 0.1262 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2539 -1.9740 0.9334 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9756 0.2458 -0.1608 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9554 0.0184 -2.4854 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8453 -3.0596 0.4994 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5225 -3.1284 0.9144 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0547 1.0062 0.2737 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1263 -0.6813 -1.1849 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3033 0.8365 -0.3246 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3749 -0.8510 -1.7834 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4633 -0.0922 -1.3530 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2249 -0.0056 -0.7115 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7755 1.5748 -1.2889 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2228 1.0275 2.2454 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4487 -1.8438 -0.1526 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2903 -2.0390 1.2592 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5954 -1.0126 -2.4422 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7975 0.0514 -3.1845 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4676 -3.9506 0.4714 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2946 -1.2643 -1.5693 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6727 3.7274 1.6912 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1505 1.4278 0.0101 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4982 -1.5682 -2.5897 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4350 -0.2230 -1.8202 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6746 0.4677 -3.8771 H 0 0 0 0 0 0 0 0 0 0 0 0 1 19 1 0 0 0 0 2 20 1 0 0 0 0 3 13 1 0 0 0 0 3 34 1 0 0 0 0 4 12 2 0 0 0 0 5 17 1 0 0 0 0 5 38 1 0 0 0 0 6 8 1 0 0 0 0 6 10 1 0 0 0 0 6 12 1 0 0 0 0 7 11 2 0 0 0 0 7 13 1 0 0 0 0 8 9 2 0 0 0 0 8 14 1 0 0 0 0 9 11 1 0 0 0 0 9 15 1 0 0 0 0 10 17 1 0 0 0 0 10 25 1 0 0 0 0 10 26 1 0 0 0 0 11 16 1 0 0 0 0 12 13 1 0 0 0 0 13 27 1 0 0 0 0 14 18 2 0 0 0 0 14 28 1 0 0 0 0 15 19 2 0 0 0 0 15 29 1 0 0 0 0 16 20 1 0 0 0 0 16 21 2 0 0 0 0 17 30 1 0 0 0 0 17 31 1 0 0 0 0 18 19 1 0 0 0 0 18 32 1 0 0 0 0 20 22 2 0 0 0 0 21 23 1 0 0 0 0 21 33 1 0 0 0 0 22 24 1 0 0 0 0 22 35 1 0 0 0 0 23 24 2 0 0 0 0 23 36 1 0 0 0 0 24 37 1 0 0 0 0 M END > DB13837 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/VOJLELRQLPENHL-UHFFFAOYSA-N/SDF?record_type=3d > OCCN1C2=C(C=C(Cl)C=C2)C(=NC(O)C1=O)C1=CC=CC=C1F > InChI=1S/C17H14ClFN2O3/c18-10-5-6-14-12(9-10)15(11-3-1-2-4-13(11)19)20-16(23)17(24)21(14)7-8-22/h1-6,9,16,22-23H,7-8H2 > VOJLELRQLPENHL-UHFFFAOYSA-N > C17H14ClFN2O3 > 348.756 > 348.067698236 > 4 > 38 > -0.00021135286934936354 > 33.10093587161379 > 1 > 2 > 0 > 1 > 7-chloro-5-(2-fluorophenyl)-3-hydroxy-1-(2-hydroxyethyl)-2,3-dihydro-1H-1,4-benzodiazepin-2-one > 1.66 > 2.239946804666667 > -3.75 > 0 > 0 > 3 > 0 > 15.559732562302433 > 10.674903881208058 > -2.3449340892348416 > 73.13 > 87.519 > 3 > 1 > 6.26e-02 g/l > tetrahydrofolic acid > 0 $$$$