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Summary

Name:	(1P)-4-chloro-5'-(cyclopropyloxy)-2'-fluoro-6-[(1H-pyrazolo[3,4-c]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-c]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-c]pyridin-3-ylmethoxy)benzenecarbonitrile

Chemical Descriptors

Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	Fc1ccc(OC2CC2)cc1c1cc(C#N)c(Cl)cc1OCc1n[NH]c2cnccc21
InChI	InChI	1.06	InChI=1S/C23H16ClFN4O2/c24-19-9-23(30-12-22-16-5-6-27-11-21(16)28-29-22)18(7-13(19)10-26)17-8-15(3-4-20(17)25)31-14-1-2-14/h3-9,11,14H,1-2,12H2,(H,28,29)
InChIKey	InChI	1.06	KMNVGIIBWLMMJL-UHFFFAOYSA-N
SMILES_CANONICAL	CACTVS	3.385	Fc1ccc(OC2CC2)cc1c3cc(C#N)c(Cl)cc3OCc4n[nH]c5cnccc45
SMILES	CACTVS	3.385	Fc1ccc(OC2CC2)cc1c3cc(C#N)c(Cl)cc3OCc4n[nH]c5cnccc45
SMILES_CANONICAL	OpenEye OEToolkits	2.0.7	c1cc(c(cc1OC2CC2)c3cc(c(cc3OCc4c5ccncc5[nH]n4)Cl)C#N)F
SMILES	OpenEye OEToolkits	2.0.7	c1cc(c(cc1OC2CC2)c3cc(c(cc3OCc4c5ccncc5[nH]n4)Cl)C#N)F

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