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Summary Geometry Related PDB entries

A1LVR

Summary

Name:	QO-58
Synonyms:	5-[2,6-bis(chloranyl)-5-fluoranyl-pyridin-3-yl]-3-phenyl-2-(trifluoromethyl)-4~{H}-pyrazolo[1,5-a]pyrimidin-7-one
Formula:	C18 H8 Cl2 F4 N4 O
Formal charge:	0
Formula weight:	443.182 Da
Component type:	non-polymer

Chemical Identifiers

Program	Version	Name
OpenEye OEToolkits	2.0.7	5-[2,6-bis(chloranyl)-5-fluoranyl-pyridin-3-yl]-3-phenyl-2-(trifluoromethyl)-4~{H}-pyrazolo[1,5-a]pyrimidin-7-one

Chemical Descriptors

Type	Program	Version	Descriptor
InChI	InChI	1.06	InChI=1S/C18H8Cl2F4N4O/c19-15-9(6-10(21)16(20)26-15)11-7-12(29)28-17(25-11)13(8-4-2-1-3-5-8)14(27-28)18(22,23)24/h1-7,25H
InChIKey	InChI	1.06	JEXACLGXUUYXDX-UHFFFAOYSA-N
SMILES_CANONICAL	CACTVS	3.385	Fc1cc(c(Cl)nc1Cl)C2=CC(=O)n3nc(c(c3N2)c4ccccc4)C(F)(F)F
SMILES	CACTVS	3.385	Fc1cc(c(Cl)nc1Cl)C2=CC(=O)n3nc(c(c3N2)c4ccccc4)C(F)(F)F
SMILES_CANONICAL	OpenEye OEToolkits	2.0.7	c1ccc(cc1)c2c(nn3c2NC(=CC3=O)c4cc(c(nc4Cl)Cl)F)C(F)(F)F
SMILES	OpenEye OEToolkits	2.0.7	c1ccc(cc1)c2c(nn3c2NC(=CC3=O)c4cc(c(nc4Cl)Cl)F)C(F)(F)F

247536

PDB entries from 2026-01-14

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