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Summary Geometry Related PDB entries

2SC

Summary

Name:	(5-phenyl-7-(pyridin-3-ylmethylamino)pyrazolo[1,5-a]pyrimidin-3-yl)methanol
Formula:	C19 H17 N5 O
Formal charge:	0
Formula weight:	331.371 Da
Component type:	NON-POLYMER

Chemical Identifiers

Program	Version	Name
ACDLabs	10.04	{5-phenyl-7-[(pyridin-3-ylmethyl)amino]pyrazolo[1,5-a]pyrimidin-3-yl}methanol
OpenEye OEToolkits	1.5.0	[5-phenyl-7-(pyridin-3-ylmethylamino)pyrazolo[1,5-a]pyrimidin-3-yl]methanol

Chemical Descriptors

Type	Program	Version	Descriptor
SMILES	ACDLabs	10.04	n1c(cc(n2ncc(c12)CO)NCc3cccnc3)c4ccccc4
SMILES_CANONICAL	CACTVS	3.341	OCc1cnn2c(NCc3cccnc3)cc(nc12)c4ccccc4
SMILES	CACTVS	3.341	OCc1cnn2c(NCc3cccnc3)cc(nc12)c4ccccc4
SMILES_CANONICAL	OpenEye OEToolkits	1.5.0	c1ccc(cc1)c2cc(n3c(n2)c(cn3)CO)NCc4cccnc4
SMILES	OpenEye OEToolkits	1.5.0	c1ccc(cc1)c2cc(n3c(n2)c(cn3)CO)NCc4cccnc4
InChI	InChI	1.03	InChI=1S/C19H17N5O/c25-13-16-12-22-24-18(21-11-14-5-4-8-20-10-14)9-17(23-19(16)24)15-6-2-1-3-7-15/h1-10,12,21,25H,11,13H2
InChIKey	InChI	1.03	RBLKWWBHDUBPFN-UHFFFAOYSA-N

219140

PDB entries from 2024-05-01

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