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Summary Geometry Related PDB entries

5C2

Summary

Name:	1-(propan-2-yl)-N-{[2-(thiophen-2-yl)-1,3-oxazol-4-yl]methyl}-1H-pyrazolo[3,4-b]pyridine-5-carboxamide
Formula:	C18 H17 N5 O2 S
Formal charge:	0
Formula weight:	367.425 Da
Component type:	NON-POLYMER

Chemical Identifiers

Program	Version	Name
ACDLabs	12.01	1-(propan-2-yl)-N-{[2-(thiophen-2-yl)-1,3-oxazol-4-yl]methyl}-1H-pyrazolo[3,4-b]pyridine-5-carboxamide
OpenEye OEToolkits	1.9.2	1-propan-2-yl-N-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]pyrazolo[3,4-b]pyridine-5-carboxamide

Chemical Descriptors

Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	N(Cc1nc(oc1)c2cccs2)C(c4cc3cnn(C(C)C)c3nc4)=O
InChI	InChI	1.03	InChI=1S/C18H17N5O2S/c1-11(2)23-16-12(8-21-23)6-13(7-19-16)17(24)20-9-14-10-25-18(22-14)15-4-3-5-26-15/h3-8,10-11H,9H2,1-2H3,(H,20,24)
InChIKey	InChI	1.03	OISFTLSEOJZOQD-UHFFFAOYSA-N
SMILES_CANONICAL	CACTVS	3.385	CC(C)n1ncc2cc(cnc12)C(=O)NCc3coc(n3)c4sccc4
SMILES	CACTVS	3.385	CC(C)n1ncc2cc(cnc12)C(=O)NCc3coc(n3)c4sccc4
SMILES_CANONICAL	OpenEye OEToolkits	1.9.2	CC(C)n1c2c(cc(cn2)C(=O)NCc3coc(n3)c4cccs4)cn1
SMILES	OpenEye OEToolkits	1.9.2	CC(C)n1c2c(cc(cn2)C(=O)NCc3coc(n3)c4cccs4)cn1

222415

건을2024-07-10부터공개중

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