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Summary Geometry Related PDB entries

4VD

Summary

Name:	N-[5-({[(3-fluorophenyl)carbamoyl]amino}methyl)-2-methylphenyl]imidazo[1,2-a]pyridine-3-carboxamide
Formula:	C23 H20 F N5 O2
Formal charge:	0
Formula weight:	417.436 Da
Component type:	NON-POLYMER

Chemical Identifiers

Program	Version	Name
ACDLabs	12.01	N-[5-({[(3-fluorophenyl)carbamoyl]amino}methyl)-2-methylphenyl]imidazo[1,2-a]pyridine-3-carboxamide
OpenEye OEToolkits	1.9.2	N-[5-[[(3-fluorophenyl)carbamoylamino]methyl]-2-methyl-phenyl]imidazo[1,2-a]pyridine-3-carboxamide

Chemical Descriptors

Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	Cc2ccc(CNC(=O)Nc1cccc(c1)F)cc2NC(=O)c4n3c(cccc3)nc4
InChI	InChI	1.03	InChI=1S/C23H20FN5O2/c1-15-8-9-16(13-26-23(31)27-18-6-4-5-17(24)12-18)11-19(15)28-22(30)20-14-25-21-7-2-3-10-29(20)21/h2-12,14H,13H2,1H3,(H,28,30)(H2,26,27,31)
InChIKey	InChI	1.03	ZPVUIOVIUFJGHO-UHFFFAOYSA-N
SMILES_CANONICAL	CACTVS	3.385	Cc1ccc(CNC(=O)Nc2cccc(F)c2)cc1NC(=O)c3cnc4ccccn34
SMILES	CACTVS	3.385	Cc1ccc(CNC(=O)Nc2cccc(F)c2)cc1NC(=O)c3cnc4ccccn34
SMILES_CANONICAL	OpenEye OEToolkits	1.9.2	Cc1ccc(cc1NC(=O)c2cnc3n2cccc3)CNC(=O)Nc4cccc(c4)F
SMILES	OpenEye OEToolkits	1.9.2	Cc1ccc(cc1NC(=O)c2cnc3n2cccc3)CNC(=O)Nc4cccc(c4)F

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PDB entries from 2024-07-17

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