English 日本語简体中文繁體中文 한국어

✖

Menu

RCSB PDB PDBe BMRB Adv. Search Search help

Summary Geometry Related PDB entries

A1H93

Summary

Name:	(R)-[1-[2,5-bis(fluoranyl)-4-methoxy-phenyl]-1,2,3-triazol-4-yl]-(6-cyclopropylimidazo[1,5-a]pyrazin-5-yl)methanol
Formula:	C19 H16 F2 N6 O2
Formal charge:	0
Formula weight:	398.366 Da
Component type:	non-polymer

Chemical Identifiers

Program	Version	Name
OpenEye OEToolkits	2.0.7	(~{R})-[1-[2,5-bis(fluoranyl)-4-methoxy-phenyl]-1,2,3-triazol-4-yl]-(6-cyclopropylimidazo[1,5-a]pyrazin-5-yl)methanol

Chemical Descriptors

Type	Program	Version	Descriptor
InChI	InChI	1.06	InChI=1S/C19H16F2N6O2/c1-29-16-5-12(20)15(4-13(16)21)27-8-14(24-25-27)19(28)18-17(10-2-3-10)23-7-11-6-22-9-26(11)18/h4-10,19,28H,2-3H2,1H3/t19-/m0/s1
InChIKey	InChI	1.06	FQZYKWGHIWGNGJ-IBGZPJMESA-N
SMILES_CANONICAL	CACTVS	3.385	COc1cc(F)c(cc1F)n2cc(nn2)[C@H](O)c3n4cncc4cnc3C5CC5
SMILES	CACTVS	3.385	COc1cc(F)c(cc1F)n2cc(nn2)[CH](O)c3n4cncc4cnc3C5CC5
SMILES_CANONICAL	OpenEye OEToolkits	2.0.7	COc1cc(c(cc1F)n2cc(nn2)[C@@H](c3c(ncc4n3cnc4)C5CC5)O)F
SMILES	OpenEye OEToolkits	2.0.7	COc1cc(c(cc1F)n2cc(nn2)C(c3c(ncc4n3cnc4)C5CC5)O)F

247947

PDB entries from 2026-01-21

PDB statistics

PDBj update info

Contact PDBj

numon