5391 -OEChem-10051719103D 34 36 0 1 0 0 0 0 0999 V2000 -0.3452 4.4948 -1.1790 Cl 0 0 0 0 0 0 0 0 0 0 0 0 1.8787 -2.9811 -1.7821 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7441 -2.7597 0.6707 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3240 -0.4772 0.8187 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0667 -1.7324 -0.7643 N 0 0 0 0 0 0 0 0 0 0 0 0 1.6373 0.6970 0.3552 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3707 0.6532 -0.2617 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4215 -0.6058 -0.3696 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4768 -1.7881 -1.1122 C 0 0 1 0 0 0 0 0 0 0 0 0 2.2221 -1.7385 0.2141 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8632 -0.5864 0.0122 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2279 1.8291 -0.7490 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2331 1.9616 0.5306 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2361 -0.3334 1.9538 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3993 3.0607 -0.5886 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6237 3.1283 0.0618 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3028 0.2971 0.9906 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7516 -1.4518 -0.6147 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6510 0.3154 1.3477 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1000 -1.4332 -0.2577 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5496 -0.5496 0.7236 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7864 -0.9668 -1.7670 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1884 1.7873 -1.2590 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2057 2.0674 1.0048 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7998 0.3260 2.7108 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1905 0.0652 1.5964 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4312 -1.3013 2.4253 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1275 4.0811 0.2038 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6265 0.9607 1.5213 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4264 -2.1424 -1.3878 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0001 0.9979 2.1170 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8003 -2.1056 -0.7448 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4470 -3.7210 -1.3219 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5992 -0.5362 1.0025 H 0 0 0 0 0 0 0 0 0 0 0 0 1 15 1 0 0 0 0 2 9 1 0 0 0 0 2 33 1 0 0 0 0 3 10 2 0 0 0 0 4 6 1 0 0 0 0 4 10 1 0 0 0 0 4 14 1 0 0 0 0 5 8 2 0 0 0 0 5 9 1 0 0 0 0 6 7 2 0 0 0 0 6 13 1 0 0 0 0 7 8 1 0 0 0 0 7 12 1 0 0 0 0 8 11 1 0 0 0 0 9 10 1 0 0 0 0 9 22 1 0 0 0 0 11 17 2 0 0 0 0 11 18 1 0 0 0 0 12 15 2 0 0 0 0 12 23 1 0 0 0 0 13 16 2 0 0 0 0 13 24 1 0 0 0 0 14 25 1 0 0 0 0 14 26 1 0 0 0 0 14 27 1 0 0 0 0 15 16 1 0 0 0 0 16 28 1 0 0 0 0 17 19 1 0 0 0 0 17 29 1 0 0 0 0 18 20 2 0 0 0 0 18 30 1 0 0 0 0 19 21 2 0 0 0 0 19 31 1 0 0 0 0 20 21 1 0 0 0 0 20 32 1 0 0 0 0 21 34 1 0 0 0 0 M END > DB00231 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/SEQDDYPDSLOBDC-UHFFFAOYSA-N/SDF?record_type=3d > CN1C2=C(C=C(Cl)C=C2)C(=NC(O)C1=O)C1=CC=CC=C1 > InChI=1S/C16H13ClN2O2/c1-19-13-8-7-11(17)9-12(13)14(18-15(20)16(19)21)10-5-3-2-4-6-10/h2-9,15,20H,1H3 > SEQDDYPDSLOBDC-UHFFFAOYSA-N > C16H13ClN2O2 > 300.74 > 300.066555377 > 3 > 34 > -0.00021057540847274983 > 30.32118576604654 > 1 > 1 > 0 > 1 > 7-chloro-3-hydroxy-1-methyl-5-phenyl-2,3-dihydro-1H-1,4-benzodiazepin-2-one > 2.16 > 2.7873468803333337 > -3.75 > 0 > 0 > 3 > 0 > 10.676492661664245 > -1.3993224777863962 > 52.9 > 81.01030000000003 > 1 > 1 > 5.34e-02 g/l > tetrahydrofolic acid > 0 $$$$