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Summary Geometry Related PDB entries

87H

Summary

Name:	(2R)-2-(3-fluorophenyl)-N-(isoquinolin-4-yl)propanamide
Formula:	C18 H15 F N2 O
Formal charge:	0
Formula weight:	294.323 Da
Component type:	non-polymer

Chemical Identifiers

Program	Version	Name
ACDLabs	12.01	(2R)-2-(3-fluorophenyl)-N-(isoquinolin-4-yl)propanamide
OpenEye OEToolkits	2.0.7	(2~{R})-2-(3-fluorophenyl)-~{N}-isoquinolin-4-yl-propanamide

Chemical Descriptors

Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	Fc1cccc(c1)C(C)C(=O)Nc1cncc2ccccc21
InChI	InChI	1.03	InChI=1S/C18H15FN2O/c1-12(13-6-4-7-15(19)9-13)18(22)21-17-11-20-10-14-5-2-3-8-16(14)17/h2-12H,1H3,(H,21,22)/t12-/m1/s1
InChIKey	InChI	1.03	YZVOKFXROIBJSM-GFCCVEGCSA-N
SMILES_CANONICAL	CACTVS	3.385	C[C@@H](C(=O)Nc1cncc2ccccc12)c3cccc(F)c3
SMILES	CACTVS	3.385	C[CH](C(=O)Nc1cncc2ccccc12)c3cccc(F)c3
SMILES_CANONICAL	OpenEye OEToolkits	2.0.7	C[C@H](c1cccc(c1)F)C(=O)Nc2cncc3c2cccc3
SMILES	OpenEye OEToolkits	2.0.7	CC(c1cccc(c1)F)C(=O)Nc2cncc3c2cccc3

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