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Summary Geometry Related PDB entries

SC8

Summary

Name:	5-(2,3-dichlorophenyl)-N-(pyridin-4-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine
Formula:	C18 H13 Cl2 N5
Formal charge:	0
Formula weight:	370.235 Da
Component type:	NON-POLYMER

Chemical Identifiers

Program	Version	Name
ACDLabs	10.04	5-(2,3-dichlorophenyl)-N-(pyridin-4-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine
OpenEye OEToolkits	1.5.0	5-(2,3-dichlorophenyl)-N-(pyridin-4-ylmethyl)pyrazolo[5,1-b]pyrimidin-7-amine

Chemical Descriptors

Type	Program	Version	Descriptor
SMILES	ACDLabs	10.04	Clc4cccc(c2nc1ccnn1c(c2)NCc3ccncc3)c4Cl
SMILES_CANONICAL	CACTVS	3.341	Clc1cccc(c1Cl)c2cc(NCc3ccncc3)n4nccc4n2
SMILES	CACTVS	3.341	Clc1cccc(c1Cl)c2cc(NCc3ccncc3)n4nccc4n2
SMILES_CANONICAL	OpenEye OEToolkits	1.5.0	c1cc(c(c(c1)Cl)Cl)c2cc(n3c(n2)ccn3)NCc4ccncc4
SMILES	OpenEye OEToolkits	1.5.0	c1cc(c(c(c1)Cl)Cl)c2cc(n3c(n2)ccn3)NCc4ccncc4
InChI	InChI	1.03	InChI=1S/C18H13Cl2N5/c19-14-3-1-2-13(18(14)20)15-10-17(25-16(24-15)6-9-23-25)22-11-12-4-7-21-8-5-12/h1-10,22H,11H2
InChIKey	InChI	1.03	CVYWYUAQFJMLEO-UHFFFAOYSA-N

223532

건을2024-08-07부터공개중

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