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WXX

Summary

Name:	3-cyclohexyl-N-{(2R)-2-[(1H-pyrazolo[3,4-d]pyrimidin-4-yl)amino]butyl}propanamide
Formula:	C18 H28 N6 O
Formal charge:	0
Formula weight:	344.455 Da
Component type:	non-polymer

Chemical Identifiers

Program	Version	Name
ACDLabs	12.01	3-cyclohexyl-N-{(2R)-2-[(1H-pyrazolo[3,4-d]pyrimidin-4-yl)amino]butyl}propanamide
OpenEye OEToolkits	2.0.7	3-cyclohexyl-~{N}-[(2~{R})-2-(1~{H}-pyrazolo[3,4-d]pyrimidin-4-ylamino)butyl]propanamide

Chemical Descriptors

Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	CCC(CNC(=O)CCC1CCCCC1)Nc1ncnc2[NH]ncc12
InChI	InChI	1.06	InChI=1S/C18H28N6O/c1-2-14(23-17-15-11-22-24-18(15)21-12-20-17)10-19-16(25)9-8-13-6-4-3-5-7-13/h11-14H,2-10H2,1H3,(H,19,25)(H2,20,21,22,23,24)/t14-/m1/s1
InChIKey	InChI	1.06	HCXYCGJASBHJRP-CQSZACIVSA-N
SMILES_CANONICAL	CACTVS	3.385	CC[C@H](CNC(=O)CCC1CCCCC1)Nc2ncnc3[nH]ncc23
SMILES	CACTVS	3.385	CC[CH](CNC(=O)CCC1CCCCC1)Nc2ncnc3[nH]ncc23
SMILES_CANONICAL	OpenEye OEToolkits	2.0.7	CC[C@H](CNC(=O)CCC1CCCCC1)Nc2c3cn[nH]c3ncn2
SMILES	OpenEye OEToolkits	2.0.7	CCC(CNC(=O)CCC1CCCCC1)Nc2c3cn[nH]c3ncn2

248636

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