3035714 -OEChem-10051722433D 43 45 0 0 0 0 0 0 0999 V2000 2.9635 -0.6770 -1.4243 S 0 0 0 0 0 0 0 0 0 0 0 0 2.9022 -1.1877 -2.7811 O 0 0 0 0 0 0 0 0 0 0 0 0 4.1960 -0.7875 -0.6680 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2736 -3.4206 1.6250 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.6562 0.5651 -0.1824 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4086 0.9534 -1.4143 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.2386 1.6794 -0.7606 N 0 0 0 0 0 0 0 0 0 0 0 0 0.4555 2.5065 1.3498 N 0 0 0 0 0 0 0 0 0 0 0 0 1.6922 -1.5004 -0.5086 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0893 1.5634 -0.1624 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7890 1.9252 0.1706 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6003 -2.0143 -1.1849 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8156 -1.6134 0.8645 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0983 1.8107 0.7619 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6126 1.3967 -0.6145 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4021 -2.6630 -0.4637 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8132 -2.2624 1.5856 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2956 -2.7870 0.9214 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7874 2.4055 1.9798 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5153 1.7934 -1.6009 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0687 0.7211 0.5175 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4628 2.7312 2.2230 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8743 1.5146 -1.4555 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4276 0.4421 0.6629 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3305 0.8387 -0.3237 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3788 -3.9336 0.8829 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8093 1.2267 -2.2025 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4950 -1.9188 -2.2612 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6707 -1.2145 1.4006 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0220 1.9160 -1.7136 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1338 1.5643 0.5459 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2372 -3.0436 -1.0418 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9013 -2.3558 2.6646 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5580 2.6111 2.7137 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1731 2.3212 -2.4874 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3839 0.3925 1.2944 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1681 3.1976 3.1572 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5674 1.8288 -2.2312 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7762 -0.0880 1.5451 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9394 -3.1316 0.3904 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0589 -4.4048 1.6000 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0649 -4.7129 0.1801 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1333 0.9101 -0.9567 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 9 1 0 0 0 0 4 18 1 0 0 0 0 4 26 1 0 0 0 0 5 25 1 0 0 0 0 5 43 1 0 0 0 0 6 10 1 0 0 0 0 6 27 1 0 0 0 0 7 11 1 0 0 0 0 7 15 1 0 0 0 0 7 30 1 0 0 0 0 8 11 1 0 0 0 0 8 22 2 0 0 0 0 9 12 2 0 0 0 0 9 13 1 0 0 0 0 10 11 2 0 0 0 0 10 14 1 0 0 0 0 12 16 1 0 0 0 0 12 28 1 0 0 0 0 13 17 2 0 0 0 0 13 29 1 0 0 0 0 14 19 2 0 0 0 0 14 31 1 0 0 0 0 15 20 2 0 0 0 0 15 21 1 0 0 0 0 16 18 2 0 0 0 0 16 32 1 0 0 0 0 17 18 1 0 0 0 0 17 33 1 0 0 0 0 19 22 1 0 0 0 0 19 34 1 0 0 0 0 20 23 1 0 0 0 0 20 35 1 0 0 0 0 21 24 2 0 0 0 0 21 36 1 0 0 0 0 22 37 1 0 0 0 0 23 25 2 0 0 0 0 23 38 1 0 0 0 0 24 25 1 0 0 0 0 24 39 1 0 0 0 0 26 40 1 0 0 0 0 26 41 1 0 0 0 0 26 42 1 0 0 0 0 M END > DB12254 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/URCVCIZFVQDVPM-UHFFFAOYSA-N/SDF?record_type=3d > COC1=CC=C(C=C1)S(=O)(=O)NC1=C(NC2=CC=C(O)C=C2)N=CC=C1 > InChI=1S/C18H17N3O4S/c1-25-15-8-10-16(11-9-15)26(23,24)21-17-3-2-12-19-18(17)20-13-4-6-14(22)7-5-13/h2-12,21-22H,1H3,(H,19,20) > URCVCIZFVQDVPM-UHFFFAOYSA-N > C18H17N3O4S > 371.41 > 371.093976737 > 6 > 43 > -0.3825687177723352 > 38.292132351871516 > 1 > 3 > 0 > 1 > N-{2-[(4-hydroxyphenyl)amino]pyridin-3-yl}-4-methoxybenzene-1-sulfonamide > 3.40 > 2.816385391 > -4.06 > 0 > 0 > 3 > -1 > 10.338093933910713 > 7.208589371971084 > 4.226512239633035 > 100.55 > 97.97710000000001 > 5 > 1 > 3.23e-02 g/l > tetrahydrofolic acid > 0 $$$$