3478 -OEChem-12121822413D 58 60 0 0 0 0 0 0 0999 V2000 -4.0331 0.0044 -0.7568 S 0 0 0 0 0 0 0 0 0 0 0 0 -1.6382 -1.6511 -1.8388 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.0561 -0.1147 -2.2019 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.2662 0.1754 -0.0133 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5758 1.5851 2.1877 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5384 -2.9908 0.0423 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.1521 -1.3025 -0.0948 N 0 0 0 0 0 0 0 0 0 0 0 0 1.6394 3.3603 0.6960 N 0 0 0 0 0 0 0 0 0 0 0 0 3.2639 1.8965 -0.8895 N 0 0 0 0 0 0 0 0 0 0 0 0 4.0543 -0.7117 -0.2267 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.4238 -3.8089 -0.3813 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5431 -5.2326 0.1731 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9110 -3.1687 0.0146 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2827 -5.2980 1.6780 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1691 -3.2375 1.5198 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0558 -4.6652 2.0459 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0573 -1.9701 -0.7302 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9880 1.3656 -0.3335 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3398 3.5155 0.3326 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1684 2.0337 0.8775 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9835 1.7724 -1.2117 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4576 4.6639 0.6890 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3443 3.1085 1.2107 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1594 2.8473 -0.8785 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8052 4.2522 1.4557 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9606 2.0805 1.1318 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8547 1.2933 0.2441 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2431 0.0123 0.5697 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4632 -0.1086 -1.3605 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0751 1.1725 -1.6861 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3607 -0.8789 -2.2651 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4610 -3.8665 -1.4764 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1840 -5.8763 -0.3384 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5372 -5.6427 -0.0417 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7245 -3.6906 -0.5055 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9474 -2.1227 -0.3123 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2932 -6.3445 2.0038 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0893 -4.7930 2.2221 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1699 -2.8499 1.7386 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4561 -2.5932 2.0481 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8709 -5.2713 1.6314 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1787 -4.6682 3.1348 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9318 -3.1369 0.9667 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4647 -1.6596 0.8170 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1716 5.1998 -0.2259 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0198 5.3910 1.2890 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9391 1.7291 1.5799 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8232 1.2644 -2.1582 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4921 3.6184 2.1590 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3809 3.1534 -1.5725 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5357 3.7960 2.4147 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4054 5.1429 1.6700 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0332 3.7002 -0.1769 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9266 -0.4847 1.4785 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3994 1.6643 -2.5955 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8942 -1.0055 -3.2471 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5676 -1.8744 -1.8587 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3159 -0.3588 -2.3875 H 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 0 0 0 0 6 17 1 0 0 0 0 6 43 1 0 0 0 0 7 17 1 0 0 0 0 7 44 1 0 0 0 0 8 25 1 0 0 0 0 8 26 1 0 0 0 0 8 53 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 11 32 1 0 0 0 0 12 14 1 0 0 0 0 12 33 1 0 0 0 0 12 34 1 0 0 0 0 13 15 1 0 0 0 0 13 35 1 0 0 0 0 13 36 1 0 0 0 0 14 16 1 0 0 0 0 14 37 1 0 0 0 0 14 38 1 0 0 0 0 15 16 1 0 0 0 0 15 39 1 0 0 0 0 15 40 1 0 0 0 0 16 41 1 0 0 0 0 16 42 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 20 47 1 0 0 0 0 21 24 2 0 0 0 0 21 48 1 0 0 0 0 22 25 1 0 0 0 0 22 45 1 0 0 0 0 22 46 1 0 0 0 0 23 49 1 0 0 0 0 24 50 1 0 0 0 0 25 51 1 0 0 0 0 25 52 1 0 0 0 0 26 27 1 0 0 0 0 27 28 1 0 0 0 0 28 54 1 0 0 0 0 29 30 2 0 0 0 0 29 31 1 0 0 0 0 30 55 1 0 0 0 0 31 56 1 0 0 0 0 31 57 1 0 0 0 0 31 58 1 0 0 0 0 M END > DB01067 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/ZJJXGWJIGJFDTL-UHFFFAOYSA-N/SDF?record_type=3d > CC1=NC=C(N=C1)C(=O)NCCC1=CC=C(C=C1)S(=O)(=O)NC(=O)NC1CCCCC1 > InChI=1S/C21H27N5O4S/c1-15-13-24-19(14-23-15)20(27)22-12-11-16-7-9-18(10-8-16)31(29,30)26-21(28)25-17-5-3-2-4-6-17/h7-10,13-14,17H,2-6,11-12H2,1H3,(H,22,27)(H2,25,26,28) > ZJJXGWJIGJFDTL-UHFFFAOYSA-N > C21H27N5O4S > 445.535 > 445.178375067 > 6 > 58 > 47.61833591764637 > 1 > 3 > 0 > 1 > N-[2-(4-{[(cyclohexylcarbamoyl)amino]sulfonyl}phenyl)ethyl]-5-methylpyrazine-2-carboxamide > 1.83 > 1.4266122779999995 > -4.43 > 1 > 3 > -1 > 13.870435150472748 > 4.3202023815308 > 0.06130207911766217 > 130.15 > 115.61779999999999 > 6 > 1 > 1.64e-02 g/l > glipizide > 0 $$$$