446805 -OEChem-10051721033D 51 54 0 0 0 0 0 0 0999 V2000 -3.8892 -1.9439 -1.2674 S 0 0 0 0 0 0 0 0 0 0 0 0 -2.6640 -2.7153 -1.1826 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.1069 -2.5505 -1.7717 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2678 2.8033 0.0847 N 0 0 0 0 0 0 0 0 0 0 0 0 0.9198 0.7493 -0.4586 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.5821 -0.4713 -2.1353 N 0 0 0 0 0 0 0 0 0 0 0 0 7.1833 -2.2344 -1.0857 N 0 0 0 0 0 0 0 0 0 0 0 0 6.5478 -2.9384 1.0501 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.8434 2.1927 -0.4377 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2944 1.9012 0.0511 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4107 0.9119 -0.7694 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6484 2.2320 0.5417 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3221 0.0074 -1.3400 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6393 0.4320 -1.5547 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1500 2.6374 -0.6424 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6468 1.0893 0.4145 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3368 4.1594 0.5805 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0438 1.7241 -1.2114 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3882 0.9783 -0.7437 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7789 0.2001 1.4610 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2535 -1.3372 0.3543 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3027 -0.0686 -0.8605 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6932 -0.8469 1.3439 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4555 -0.9813 0.1834 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5626 -1.0332 0.6815 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2219 -1.1791 1.2620 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4084 -2.0731 0.0614 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8500 -0.5552 1.9603 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5092 -0.7009 2.5406 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8233 -0.3892 2.8900 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5996 2.5382 1.5950 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0408 3.1015 -0.0020 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9767 -0.9776 -1.6315 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4734 3.6374 -0.3786 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6316 4.1271 1.6325 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0774 4.7048 -0.0101 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6325 4.6522 0.4912 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0714 2.0382 -1.3827 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4039 -0.0293 -2.5676 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2728 1.6839 -1.5610 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1877 0.2972 2.3666 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8684 -0.1270 -1.7839 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7865 -1.5402 2.1754 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3743 -1.1472 -0.0301 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1941 -1.4283 1.0201 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8727 -0.3103 2.2315 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7101 -0.5738 3.2651 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0469 -0.0170 3.8855 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8417 -3.0037 -1.1526 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1392 -1.6187 -1.8880 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2576 -3.6274 0.7775 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 1 3 2 0 0 0 0 1 6 1 0 0 0 0 1 21 1 0 0 0 0 4 9 1 0 0 0 0 4 10 1 0 0 0 0 4 17 1 0 0 0 0 5 10 2 0 0 0 0 5 11 1 0 0 0 0 6 14 1 0 0 0 0 6 39 1 0 0 0 0 7 27 1 0 0 0 0 7 49 1 0 0 0 0 7 50 1 0 0 0 0 8 27 2 0 0 0 0 8 51 1 0 0 0 0 9 11 2 0 0 0 0 9 15 1 0 0 0 0 10 12 1 0 0 0 0 11 13 1 0 0 0 0 12 16 1 0 0 0 0 12 31 1 0 0 0 0 12 32 1 0 0 0 0 13 14 2 0 0 0 0 13 33 1 0 0 0 0 14 18 1 0 0 0 0 15 18 2 0 0 0 0 15 34 1 0 0 0 0 16 19 2 0 0 0 0 16 20 1 0 0 0 0 17 35 1 0 0 0 0 17 36 1 0 0 0 0 17 37 1 0 0 0 0 18 38 1 0 0 0 0 19 22 1 0 0 0 0 19 40 1 0 0 0 0 20 23 2 0 0 0 0 20 41 1 0 0 0 0 21 25 2 0 0 0 0 21 26 1 0 0 0 0 22 24 2 0 0 0 0 22 42 1 0 0 0 0 23 24 1 0 0 0 0 23 43 1 0 0 0 0 24 27 1 0 0 0 0 25 28 1 0 0 0 0 25 44 1 0 0 0 0 26 29 2 0 0 0 0 26 45 1 0 0 0 0 28 30 2 0 0 0 0 28 46 1 0 0 0 0 29 30 1 0 0 0 0 29 47 1 0 0 0 0 30 48 1 0 0 0 0 M END > DB07508 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/MEUAVGJWGDPTLF-UHFFFAOYSA-N/SDF?record_type=3d > CN1C(CC2=CC=C(C=C2)C(N)=N)=NC2=C1C=CC(NS(=O)(=O)C1=CC=CC=C1)=C2 > InChI=1S/C22H21N5O2S/c1-27-20-12-11-17(26-30(28,29)18-5-3-2-4-6-18)14-19(20)25-21(27)13-15-7-9-16(10-8-15)22(23)24/h2-12,14,26H,13H2,1H3,(H3,23,24) > MEUAVGJWGDPTLF-UHFFFAOYSA-N > C22H21N5O2S > 419.499 > 419.141595631 > 5 > 51 > 0.9330974168427051 > 45.133141933783875 > 1 > 3 > 0 > 1 > 4-[(5-benzenesulfonamido-1-methyl-1H-1,3-benzodiazol-2-yl)methyl]benzene-1-carboximidamide > 3.34 > 2.5779096861224717 > -4.05 > 0 > 1 > 4 > 1 > 7.675751370115598 > 11.508951629517055 > 113.85999999999999 > 127.53250000000001 > 5 > 1 > 3.72e-02 g/l > tetrahydrofolic acid > 0 $$$$