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Summary Geometry Related PDB entries

5GA

Summary

Name:	4-(3-chloro-4-fluorophenyl)-5-(1,5-naphthyridin-2-yl)-1,3-thiazol-2-amine
Formula:	C17 H10 Cl F N4 S
Formal charge:	0
Formula weight:	356.805 Da
Component type:	NON-POLYMER

Chemical Identifiers

Program	Version	Name
ACDLabs	12.01	4-(3-chloro-4-fluorophenyl)-5-(1,5-naphthyridin-2-yl)-1,3-thiazol-2-amine
OpenEye OEToolkits	1.9.2	4-(3-chloranyl-4-fluoranyl-phenyl)-5-(1,5-naphthyridin-2-yl)-1,3-thiazol-2-amine

Chemical Descriptors

Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	n1c4c(ccc1c3c(c2cc(c(cc2)F)Cl)nc(N)s3)nccc4
InChI	InChI	1.03	InChI=1S/C17H10ClFN4S/c18-10-8-9(3-4-11(10)19)15-16(24-17(20)23-15)14-6-5-12-13(22-14)2-1-7-21-12/h1-8H,(H2,20,23)
InChIKey	InChI	1.03	QPTHMBUJLWRYEC-UHFFFAOYSA-N
SMILES_CANONICAL	CACTVS	3.385	Nc1sc(c2ccc3ncccc3n2)c(n1)c4ccc(F)c(Cl)c4
SMILES	CACTVS	3.385	Nc1sc(c2ccc3ncccc3n2)c(n1)c4ccc(F)c(Cl)c4
SMILES_CANONICAL	OpenEye OEToolkits	1.9.2	c1cc2c(ccc(n2)c3c(nc(s3)N)c4ccc(c(c4)Cl)F)nc1
SMILES	OpenEye OEToolkits	1.9.2	c1cc2c(ccc(n2)c3c(nc(s3)N)c4ccc(c(c4)Cl)F)nc1

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