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Summary

Name:	6-(2-{2,3-difluoro-5-[2-(4-methylpiperazin-1-yl)ethyl]phenyl}ethyl)-4-methylpyridin-2-amine
Formula:	C21 H28 F2 N4
Formal charge:	0
Formula weight:	374.471 Da
Component type:	non-polymer

Chemical Identifiers

Program	Version	Name
ACDLabs	12.01	6-(2-{2,3-difluoro-5-[2-(4-methylpiperazin-1-yl)ethyl]phenyl}ethyl)-4-methylpyridin-2-amine
OpenEye OEToolkits	2.0.7	6-[2-[2,3-bis(fluoranyl)-5-[2-(4-methylpiperazin-1-yl)ethyl]phenyl]ethyl]-4-methyl-pyridin-2-amine

Chemical Descriptors

Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	Cc1cc(nc(N)c1)CCc1cc(CCN2CCN(C)CC2)cc(F)c1F
InChI	InChI	1.06	InChI=1S/C21H28F2N4/c1-15-11-18(25-20(24)12-15)4-3-17-13-16(14-19(22)21(17)23)5-6-27-9-7-26(2)8-10-27/h11-14H,3-10H2,1-2H3,(H2,24,25)
InChIKey	InChI	1.06	DKLAHKWNKRMLJW-UHFFFAOYSA-N
SMILES_CANONICAL	CACTVS	3.385	CN1CCN(CC1)CCc2cc(F)c(F)c(CCc3cc(C)cc(N)n3)c2
SMILES	CACTVS	3.385	CN1CCN(CC1)CCc2cc(F)c(F)c(CCc3cc(C)cc(N)n3)c2
SMILES_CANONICAL	OpenEye OEToolkits	2.0.7	Cc1cc(nc(c1)N)CCc2cc(cc(c2F)F)CCN3CCN(CC3)C
SMILES	OpenEye OEToolkits	2.0.7	Cc1cc(nc(c1)N)CCc2cc(cc(c2F)F)CCN3CCN(CC3)C

223532

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