PDB CCD ID: | CR4 |
Number of entries in BioLiP: | 2 |
Chemical formula: | C14 H12 N4 O |
InChI: | InChI=1S/C14H12N4O/c15-13(16)8-5-6-10-11(7-8)18-14(17-10)9-3-1-2-4-12(9)19/h1-7,19H,(H3,15,16)(H,17,18) |
InChIKey: | URJKRCBBKTXOHS-UHFFFAOYSA-N |
SMILES: | Software | SMILES |
---|
ACDLabs 10.04 | [O-]c3ccccc3c2nc1cc(ccc1n2)\C(=[NH2+])N | OpenEye OEToolkits 1.5.0 | c1ccc(c(c1)c2[nH]c3ccc(cc3n2)C(=[NH2+])N)[O-] | CACTVS 3.341 | NC(=[NH2+])c1ccc2[nH]c(nc2c1)c3ccccc3[O-] |
|
Name: | 2-{5-[AMINO(IMINIO)METHYL]-1H-BENZIMIDAZOL-2-YL}BENZENOLATE; CRA_1144 |
ChEMBL: | CHEMBL433501 |
DrugBank: | DB03643 |
ZINC: | ZINC000006040624 |