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Summary

Name:	(1P)-4-chloro-5'-(cyclopropyloxy)-2'-fluoro-6-[(1H-pyrazolo[3,4-b]pyridin-3-yl)methoxy][1,1'-biphenyl]-3-carbonitrile
Formula:	C23 H16 Cl F N4 O2
Formal charge:	0
Formula weight:	434.85 Da
Component type:	non-polymer

Chemical Identifiers

Program	Version	Name
ACDLabs	12.01	(1P)-4-chloro-5'-(cyclopropyloxy)-2'-fluoro-6-[(1H-pyrazolo[3,4-b]pyridin-3-yl)methoxy][1,1'-biphenyl]-3-carbonitrile
OpenEye OEToolkits	2.0.7	2-chloranyl-5-(5-cyclopropyloxy-2-fluoranyl-phenyl)-4-(1~{H}-pyrazolo[3,4-b]pyridin-3-ylmethoxy)benzenecarbonitrile

Chemical Descriptors

Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	Fc1ccc(OC2CC2)cc1c1cc(C#N)c(Cl)cc1OCc1n[NH]c2ncccc21
InChI	InChI	1.06	InChI=1S/C23H16ClFN4O2/c24-19-10-22(30-12-21-16-2-1-7-27-23(16)29-28-21)18(8-13(19)11-26)17-9-15(5-6-20(17)25)31-14-3-4-14/h1-2,5-10,14H,3-4,12H2,(H,27,28,29)
InChIKey	InChI	1.06	IOUGAUHAXLNXLM-UHFFFAOYSA-N
SMILES_CANONICAL	CACTVS	3.385	Fc1ccc(OC2CC2)cc1c3cc(C#N)c(Cl)cc3OCc4n[nH]c5ncccc45
SMILES	CACTVS	3.385	Fc1ccc(OC2CC2)cc1c3cc(C#N)c(Cl)cc3OCc4n[nH]c5ncccc45
SMILES_CANONICAL	OpenEye OEToolkits	2.0.7	c1cc2c(n[nH]c2nc1)COc3cc(c(cc3c4cc(ccc4F)OC5CC5)C#N)Cl
SMILES	OpenEye OEToolkits	2.0.7	c1cc2c(n[nH]c2nc1)COc3cc(c(cc3c4cc(ccc4F)OC5CC5)C#N)Cl

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PDB entries from 2026-01-21

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