447492 -OEChem-10051720583D 46 49 0 0 0 0 0 0 0999 V2000 -1.2177 -1.4662 0.1016 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.6772 3.8443 -0.2310 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2637 -0.6893 -0.5726 N 0 0 0 0 0 0 0 0 0 0 0 0 7.6799 -1.1935 -0.0591 N 0 0 0 0 0 0 0 0 0 0 0 0 7.1777 0.8890 0.8747 N 0 0 0 0 0 0 0 0 0 0 0 0 0.8053 0.4959 -0.0630 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0531 0.4209 0.1640 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6327 -0.7624 -0.4472 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5965 0.8377 -0.0637 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8895 1.2051 0.4005 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5790 -0.1509 0.0186 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9283 0.2029 0.0177 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4279 0.6046 0.4122 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9679 2.1808 -0.1471 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5220 -1.7751 -0.8240 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3290 -0.3998 0.0406 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3173 2.5343 -0.1482 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2974 1.5455 -0.0659 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9642 -0.8072 0.1018 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8807 -1.5707 -0.5678 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4803 -1.3720 -1.0632 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4413 -1.2120 1.3472 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7502 -0.2178 0.2944 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4770 -2.3445 -0.9825 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4379 -2.1845 1.4278 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9558 -2.7508 0.2628 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0740 4.1354 -0.2285 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8641 2.1810 0.8673 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6906 -1.4104 -0.9892 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7551 1.5246 0.8875 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2228 2.9697 -0.2210 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1730 -2.6867 -1.2976 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3599 1.7691 -0.0633 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5507 -2.3696 -0.8684 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1175 -1.0669 -2.0419 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0478 -0.7809 2.2648 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9925 -2.0470 0.1501 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8801 -2.7856 -1.8895 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8107 -2.5012 2.3975 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7317 -3.5081 0.3257 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5759 3.7090 -1.1037 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1770 5.2231 -0.3006 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5470 3.8321 0.7117 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6667 -1.0482 0.1279 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4402 -2.0693 -0.5063 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1978 0.8306 0.9683 H 0 0 0 0 0 0 0 0 0 0 0 0 1 11 1 0 0 0 0 1 37 1 0 0 0 0 2 17 1 0 0 0 0 2 27 1 0 0 0 0 3 6 1 0 0 0 0 3 8 1 0 0 0 0 3 29 1 0 0 0 0 4 23 1 0 0 0 0 4 44 1 0 0 0 0 4 45 1 0 0 0 0 5 23 2 0 0 0 0 5 46 1 0 0 0 0 6 9 1 0 0 0 0 6 10 2 0 0 0 0 7 8 2 0 0 0 0 7 10 1 0 0 0 0 7 13 1 0 0 0 0 8 15 1 0 0 0 0 9 11 1 0 0 0 0 9 14 2 0 0 0 0 10 28 1 0 0 0 0 11 12 2 0 0 0 0 12 18 1 0 0 0 0 12 19 1 0 0 0 0 13 16 2 0 0 0 0 13 30 1 0 0 0 0 14 17 1 0 0 0 0 14 31 1 0 0 0 0 15 20 2 0 0 0 0 15 32 1 0 0 0 0 16 20 1 0 0 0 0 16 23 1 0 0 0 0 17 18 2 0 0 0 0 18 33 1 0 0 0 0 19 21 2 0 0 0 0 19 22 1 0 0 0 0 20 34 1 0 0 0 0 21 24 1 0 0 0 0 21 35 1 0 0 0 0 22 25 2 0 0 0 0 22 36 1 0 0 0 0 24 26 2 0 0 0 0 24 38 1 0 0 0 0 25 26 1 0 0 0 0 25 39 1 0 0 0 0 26 40 1 0 0 0 0 27 41 1 0 0 0 0 27 42 1 0 0 0 0 27 43 1 0 0 0 0 M END > DB07229 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/MINVOLKUPZPDNX-UHFFFAOYSA-N/SDF?record_type=3d > COC1=CC(=C([O-])C(=C1)C1=CC2=CC(=CC=C2N1)C(N)=[NH2+])C1=CC=CC=C1 > InChI=1S/C22H19N3O2/c1-27-16-11-17(13-5-3-2-4-6-13)21(26)18(12-16)20-10-15-9-14(22(23)24)7-8-19(15)25-20/h2-12,25-26H,1H3,(H3,23,24) > MINVOLKUPZPDNX-UHFFFAOYSA-N > C22H19N3O2 > 357.4052 > 357.147726867 > 3 > 46 > 0.9955106118085029 > 40.338236174682876 > 1 > 3 > 0 > 1 > 3-{5-[amino(iminiumyl)methyl]-1H-indol-2-yl}-5-methoxy-[1,1'-biphenyl]-2-olate > 1.44 > 3.3028952402353444 > -6.17 > 0 > 1 > 4 > 1 > 14.965742505331841 > 9.35184345815522 > 11.219542431431302 > 99.69000000000001 > 128.7613 > 4 > 1 > 2.78e-04 g/l > tetrahydrofolic acid > 0 $$$$