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Summary

Name:	6-(2,4-difluorophenoxy)-2-{[3-hydroxy-1-(2-hydroxyethyl)propyl]amino}-8-methylpyrido[2,3-d]pyrimidin-7(8H)-one
Formula:	C19 H20 F2 N4 O4
Formal charge:	0
Formula weight:	406.383 Da
Component type:	NON-POLYMER

Chemical Identifiers

Program	Version	Name
ACDLabs	10.04	6-(2,4-difluorophenoxy)-2-{[3-hydroxy-1-(2-hydroxyethyl)propyl]amino}-8-methylpyrido[2,3-d]pyrimidin-7(8H)-one
OpenEye OEToolkits	1.5.0	6-(2,4-difluorophenoxy)-2-(1,5-dihydroxypentan-3-ylamino)-8-methyl-pyrido[6,5-d]pyrimidin-7-one

Chemical Descriptors

Type	Program	Version	Descriptor
SMILES	ACDLabs	10.04	Fc3ccc(OC2=Cc1c(nc(nc1)NC(CCO)CCO)N(C2=O)C)c(F)c3
SMILES_CANONICAL	CACTVS	3.341	CN1C(=O)C(=Cc2cnc(NC(CCO)CCO)nc12)Oc3ccc(F)cc3F
SMILES	CACTVS	3.341	CN1C(=O)C(=Cc2cnc(NC(CCO)CCO)nc12)Oc3ccc(F)cc3F
SMILES_CANONICAL	OpenEye OEToolkits	1.5.0	CN1c2c(cnc(n2)NC(CCO)CCO)C=C(C1=O)Oc3ccc(cc3F)F
SMILES	OpenEye OEToolkits	1.5.0	CN1c2c(cnc(n2)NC(CCO)CCO)C=C(C1=O)Oc3ccc(cc3F)F
InChI	InChI	1.03	InChI=1S/C19H20F2N4O4/c1-25-17-11(10-22-19(24-17)23-13(4-6-26)5-7-27)8-16(18(25)28)29-15-3-2-12(20)9-14(15)21/h2-3,8-10,13,26-27H,4-7H2,1H3,(H,22,23,24)
InChIKey	InChI	1.03	JYYLVUFNAHSSFE-UHFFFAOYSA-N

218500

PDB entries from 2024-04-17

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