PDB CCD ID: | 08H |
Number of entries in BioLiP: | 3 |
Chemical formula: | C17 H13 Cl N4 |
InChI: | InChI=1S/C17H13ClN4/c1-11-20-21-16-10-19-17(12-5-3-2-4-6-12)14-9-13(18)7-8-15(14)22(11)16/h2-9H,10H2,1H3 |
InChIKey: | VREFGVBLTWBCJP-UHFFFAOYSA-N |
SMILES: | Software | SMILES |
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OpenEye OEToolkits 1.7.2 | Cc1nnc2n1-c3ccc(cc3C(=NC2)c4ccccc4)Cl | ACDLabs 12.01 | Clc2cc1C(=NCc3nnc(n3c1cc2)C)c4ccccc4 | CACTVS 3.370 | Cc1nnc2CN=C(c3ccccc3)c4cc(Cl)ccc4n12 |
|
Name: | 8-chloro-1-methyl-6-phenyl-4H-[1,2,4]triazolo[4,3-a][1,4]benzodiazepine; ALPRAZOLAM |
ChEMBL: | CHEMBL661 |
DrugBank: | DB00404 |
ZINC: | ZINC000000000903 |