3081349 -OEChem-10051720483D 31 30 0 1 0 0 0 0 0999 V2000 3.0469 -1.8280 2.6004 Cl 0 0 0 0 0 0 0 0 0 0 0 0 1.1252 0.5607 -1.7077 S 0 0 0 0 0 0 0 0 0 0 0 0 -1.0028 1.6592 0.8017 S 0 0 0 0 0 0 0 0 0 0 0 0 0.3211 1.7199 -2.0476 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2407 -0.5528 -2.6296 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2145 2.4094 1.0487 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.0923 2.2588 0.0551 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.8008 -0.7423 0.2083 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6940 -0.0153 -0.1600 N 0 0 1 0 0 0 0 0 0 0 0 0 -0.6355 0.1180 0.1389 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.1565 -2.1087 -0.6230 N 0 0 0 0 0 0 0 0 0 0 0 0 1.4687 -1.0828 0.5021 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7692 1.1498 -1.3762 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0984 -0.5617 1.7821 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6174 -0.9194 -0.0784 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6507 1.1659 2.3820 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0228 -3.2309 -0.8968 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8454 -1.9409 0.7646 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2428 -1.4637 -0.1729 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4167 0.3145 -1.1077 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1445 1.6190 -2.2888 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7277 1.8914 -0.5764 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3373 -0.2175 2.4877 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7717 0.2767 1.5794 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5974 0.6416 2.2571 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9172 0.5404 2.8925 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8203 2.0738 2.9665 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2046 -2.1593 -0.9666 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4132 -4.1354 -0.9531 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5209 -3.0582 -1.8543 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7724 -3.3315 -0.1077 H 0 0 0 0 0 0 0 0 0 0 0 0 1 14 1 0 0 0 0 2 4 2 0 0 0 0 2 5 2 0 0 0 0 2 9 1 0 0 0 0 2 13 1 0 0 0 0 3 6 2 0 0 0 0 3 7 2 0 0 0 0 3 10 1 0 0 0 0 3 16 1 0 0 0 0 8 15 2 0 0 0 0 9 10 1 0 0 0 0 9 12 1 0 0 0 0 10 15 1 0 0 0 0 11 15 1 0 0 0 0 11 17 1 0 0 0 0 11 28 1 0 0 0 0 12 14 1 0 0 0 0 12 18 1 0 0 0 0 12 19 1 0 0 0 0 13 20 1 0 0 0 0 13 21 1 0 0 0 0 13 22 1 0 0 0 0 14 23 1 0 0 0 0 14 24 1 0 0 0 0 16 25 1 0 0 0 0 16 26 1 0 0 0 0 16 27 1 0 0 0 0 17 29 1 0 0 0 0 17 30 1 0 0 0 0 17 31 1 0 0 0 0 M END > DB05817 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/PVCULFYROUOVGJ-UHFFFAOYSA-N/SDF?record_type=3d > CNC(=O)N(N(CCCl)S(C)(=O)=O)S(C)(=O)=O > InChI=1S/C6H14ClN3O5S2/c1-8-6(11)10(17(3,14)15)9(5-4-7)16(2,12)13/h4-5H2,1-3H3,(H,8,11) > PVCULFYROUOVGJ-UHFFFAOYSA-N > C6H14ClN3O5S2 > 307.775 > 307.00633966 > 5 > 31 > -5.42436745568887e-07 > 26.651419452899006 > 1 > 1 > 0 > 0 > 1-[N-(2-chloroethyl)methanesulfonamido]-1-methanesulfonyl-3-methylurea > -0.01 > -1.8627553253333333 > -2.62 > 0 > 0 > 0 > 0 > 13.265650662735352 > 103.85999999999999 > 61.91310000000001 > 3 > 1 > 7.36e-01 g/l > biotin > 0 $$$$