1507 -OEChem-10051719563D 33 35 0 0 0 0 0 0 0999 V2000 -2.8471 2.0177 0.6535 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5190 1.0215 -0.3110 N 0 0 0 0 0 0 0 0 0 0 0 0 5.0935 -1.7565 0.4317 N 0 3 0 0 0 0 0 0 0 0 0 0 5.8423 0.3796 -0.0605 N 0 0 0 0 0 0 0 0 0 0 0 0 1.0784 -0.4889 0.0690 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8458 0.8508 -0.2496 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1553 -0.1606 -0.0428 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1932 -1.1147 0.1965 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5940 -0.2710 -0.0380 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4091 -0.9349 0.1945 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8815 1.7704 -0.4499 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4552 -0.0262 -0.0028 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1931 1.3051 -0.3201 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3957 0.8176 0.3089 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1852 -1.4866 -0.3859 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8239 -0.4767 0.1247 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7848 0.6910 0.3081 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5743 -1.6133 -0.3867 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3742 -0.5246 -0.0397 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3693 -2.1535 0.4436 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9741 1.8972 -0.5302 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5636 -1.9774 0.4420 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6775 2.8069 -0.6969 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9764 2.0379 -0.4802 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5889 -2.3505 -0.6691 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4209 1.5304 0.5760 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0336 -2.5589 -0.6594 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4558 -0.6231 -0.0409 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0589 -2.0576 0.5183 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3879 -2.4633 0.5877 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7277 1.3566 -0.2933 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7972 0.0489 0.0331 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5596 2.6469 0.8592 H 0 0 0 0 0 0 0 0 0 0 0 0 1 14 1 0 0 0 0 1 33 1 0 0 0 0 2 6 1 0 0 0 0 2 7 1 0 0 0 0 2 21 1 0 0 0 0 3 16 2 0 0 0 0 3 29 1 0 0 0 0 3 30 1 0 0 0 0 4 16 1 0 0 0 0 4 31 1 0 0 0 0 4 32 1 0 0 0 0 5 6 2 0 0 0 0 5 8 1 0 0 0 0 5 10 1 0 0 0 0 6 11 1 0 0 0 0 7 8 2 0 0 0 0 7 9 1 0 0 0 0 8 20 1 0 0 0 0 9 14 1 0 0 0 0 9 15 2 0 0 0 0 10 12 2 0 0 0 0 10 22 1 0 0 0 0 11 13 2 0 0 0 0 11 23 1 0 0 0 0 12 13 1 0 0 0 0 12 16 1 0 0 0 0 13 24 1 0 0 0 0 14 17 2 0 0 0 0 15 18 1 0 0 0 0 15 25 1 0 0 0 0 17 19 1 0 0 0 0 17 26 1 0 0 0 0 18 19 2 0 0 0 0 18 27 1 0 0 0 0 19 28 1 0 0 0 0 M CHG 1 3 1 M END > DB02463 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/JPGNPKIYCTXJPG-UHFFFAOYSA-O/SDF?record_type=3d > NC(=[NH2+])C1=CC2=C(NC(=C2)C2=CC=CC=C2O)C=C1 > InChI=1S/C15H13N3O/c16-15(17)9-5-6-12-10(7-9)8-13(18-12)11-3-1-2-4-14(11)19/h1-8,18-19H,(H3,16,17)/p+1 > JPGNPKIYCTXJPG-UHFFFAOYSA-O > C15H14N3O > 252.2912 > 252.113687085 > 2 > 33 > 0.997656297654754 > 28.0383330623845 > 1 > 4 > 1 > 1 > {amino[2-(2-hydroxyphenyl)-1H-indol-5-yl]methylidene}azanium > 0.79 > 1.7667287582059692 > -4.11 > 0 > 1 > 3 > 1 > 15.062300000287326 > 9.640586062192057 > 11.225451148972454 > 87.63000000000001 > 86.61160000000001 > 2 > 1 > 2.25e-02 g/l > tetrahydrofolic acid > 0 $$$$