Mrv0541 11221316212D 32 34 0 0 0 0 999 V2000 3.7935 2.2688 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 5.2224 3.0938 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9685 2.2688 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6185 2.2688 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6500 -2.2688 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5080 4.3313 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.7935 3.0938 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.0791 -2.2688 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.0791 -3.9188 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.6500 -4.7439 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.2224 4.7439 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9370 4.3313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2224 5.5689 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6515 4.7439 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9370 5.9814 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6515 5.5689 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.5080 3.5062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7935 1.4438 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7935 -0.2063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0791 1.0313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5080 1.0313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7935 -1.0313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0791 0.2063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5080 0.2063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0791 -1.4438 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3645 -2.6812 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3645 -3.5062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6500 -3.9188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3645 -5.1564 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0791 -4.7439 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3645 -5.9814 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3659 5.9814 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 3 2 0 0 0 0 1 4 2 0 0 0 0 1 7 1 0 0 0 0 1 18 1 0 0 0 0 2 17 2 0 0 0 0 5 26 2 0 0 0 0 6 11 1 1 0 0 0 6 17 1 0 0 0 0 7 17 1 0 0 0 0 8 25 1 0 0 0 0 8 26 1 0 0 0 0 9 27 2 0 0 0 0 9 30 1 0 0 0 0 10 28 2 0 0 0 0 10 29 1 0 0 0 0 11 12 1 0 0 0 0 11 13 1 0 0 0 0 12 14 1 0 0 0 0 13 15 1 0 0 0 0 14 16 1 0 0 0 0 15 16 1 0 0 0 0 18 20 2 0 0 0 0 18 21 1 0 0 0 0 19 22 1 0 0 0 0 19 23 2 0 0 0 0 19 24 1 0 0 0 0 20 23 1 0 0 0 0 21 24 2 0 0 0 0 22 25 1 0 0 0 0 26 27 1 0 0 0 0 27 28 1 0 0 0 0 29 30 2 0 0 0 0 29 31 1 0 0 0 0 16 32 1 6 0 0 0 M END > DBMET00206 > drugbank > CC1=CN=C(C=N1)C(=O)NCCC1=CC=C(C=C1)S(=O)(=O)NC(=O)NC1CC[C@H](O)CC1 > InChI=1S/C21H27N5O5S/c1-14-12-24-19(13-23-14)20(28)22-11-10-15-2-8-18(9-3-15)32(30,31)26-21(29)25-16-4-6-17(27)7-5-16/h2-3,8-9,12-13,16-17,27H,4-7,10-11H2,1H3,(H,22,28)(H2,25,26,29)/t16?,17- > WPQWQJBFAJEUHS-FITNRVMRSA-N > C21H27N5O5S > 461.535 > 461.173289689 > 7 > 59 > -0.9979132376170875 > 48.57908979126978 > 1 > 4 > 0 > 1 > N-{2-[4-({[(4-hydroxycyclohexyl)carbamoyl]amino}sulfonyl)phenyl]ethyl}-5-methylpyrazine-2-carboxamide > 0.55 > 0.039893751000000754 > -3.75 > 1 > -1 > 3 > -1 > 13.852996269536732 > 4.3201957285997645 > 0.061302078751426105 > 150.38 > 117.2873 > 6 > 1 > 8.12e-02 g/l > biotin > 0 > DBMET00206 > 4-trans-Hydroxyglipizide $$$$