2811 -OEChem-10051719373D 36 38 0 0 0 0 0 0 0999 V2000 -1.4146 -1.2572 -2.2741 Cl 0 0 0 0 0 0 0 0 0 0 0 0 2.7364 1.4899 -0.2549 S 0 0 0 0 0 0 0 0 0 0 0 0 2.2897 -3.4901 -0.1562 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4698 -1.1710 -0.3262 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.2288 -1.8961 1.0572 N 0 0 0 0 0 0 0 0 0 0 0 0 0.5560 0.3076 0.4438 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8427 0.0487 -0.0124 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4806 -0.7108 0.6187 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4753 2.4631 0.3434 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3709 1.7156 0.6745 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6563 3.9279 0.4298 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1220 -2.2216 1.4711 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9884 -2.3608 0.2403 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8824 -0.3718 0.2638 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6020 -1.2642 -1.2514 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2394 4.6517 -0.8548 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3894 -0.5847 -1.0169 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6951 0.1735 1.2565 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7127 -0.2512 -1.3060 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0183 0.5070 0.9673 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5271 0.2946 -0.3138 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5417 2.1626 1.0486 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0576 4.3209 1.2613 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6980 4.1820 0.6618 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1072 -3.1872 1.9895 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5422 -1.5040 2.1856 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4853 -0.8152 -0.7869 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3549 -0.7468 -2.1836 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8416 -2.3038 -1.4914 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8443 4.3259 -1.7075 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3693 5.7322 -0.7377 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1880 4.4575 -1.0924 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3122 0.3421 2.2599 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1245 -0.4102 -2.2994 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6526 0.9315 1.7400 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5574 0.5543 -0.5387 H 0 0 0 0 0 0 0 0 0 0 0 0 1 17 1 0 0 0 0 2 7 1 0 0 0 0 2 9 1 0 0 0 0 3 13 2 0 0 0 0 4 7 1 0 0 0 0 4 13 1 0 0 0 0 4 15 1 0 0 0 0 5 8 2 0 0 0 0 5 12 1 0 0 0 0 6 7 2 0 0 0 0 6 8 1 0 0 0 0 6 10 1 0 0 0 0 8 14 1 0 0 0 0 9 10 2 0 0 0 0 9 11 1 0 0 0 0 10 22 1 0 0 0 0 11 16 1 0 0 0 0 11 23 1 0 0 0 0 11 24 1 0 0 0 0 12 13 1 0 0 0 0 12 25 1 0 0 0 0 12 26 1 0 0 0 0 14 17 1 0 0 0 0 14 18 2 0 0 0 0 15 27 1 0 0 0 0 15 28 1 0 0 0 0 15 29 1 0 0 0 0 16 30 1 0 0 0 0 16 31 1 0 0 0 0 16 32 1 0 0 0 0 17 19 2 0 0 0 0 18 20 1 0 0 0 0 18 33 1 0 0 0 0 19 21 1 0 0 0 0 19 34 1 0 0 0 0 20 21 2 0 0 0 0 20 35 1 0 0 0 0 21 36 1 0 0 0 0 M END > DB01559 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/CHBRHODLKOZEPZ-UHFFFAOYSA-N/SDF?record_type=3d > CCC1=CC2=C(S1)N(C)C(=O)CN=C2C1=CC=CC=C1Cl > InChI=1S/C16H15ClN2OS/c1-3-10-8-12-15(11-6-4-5-7-13(11)17)18-9-14(20)19(2)16(12)21-10/h4-8H,3,9H2,1-2H3 > CHBRHODLKOZEPZ-UHFFFAOYSA-N > C16H15ClN2OS > 318.821 > 318.059361509 > 2 > 36 > 2.4454344250750027e-05 > 33.01238217082083 > 1 > 0 > 0 > 1 > 5-(2-chlorophenyl)-7-ethyl-1-methyl-1H,2H,3H-thieno[2,3-e][1,4]diazepin-2-one > 3.58 > 4.1129539663333325 > -4.77 > 0 > 0 > 3 > 0 > 2.388366642128231 > 32.67 > 85.65790000000001 > 2 > 1 > 5.37e-03 g/l > biotin > 1 $$$$