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Summary Geometry Related PDB entries

N6J

Summary

Name:	N-{1-[(imidazo[1,2-a]pyridin-2-yl)methyl]-1H-pyrazol-4-yl}-N'-(5-methyl-1,2-oxazol-3-yl)urea
Formula:	C16 H15 N7 O2
Formal charge:	0
Formula weight:	337.336 Da
Component type:	NON-POLYMER

Chemical Identifiers

Program	Version	Name
ACDLabs	12.01	N-{1-[(imidazo[1,2-a]pyridin-2-yl)methyl]-1H-pyrazol-4-yl}-N'-(5-methyl-1,2-oxazol-3-yl)urea
OpenEye OEToolkits	2.0.6	1-[1-(imidazo[1,2-a]pyridin-2-ylmethyl)pyrazol-4-yl]-3-(5-methyl-1,2-oxazol-3-yl)urea

Chemical Descriptors

Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	N(c3cnn(Cc2cn1ccccc1n2)c3)C(Nc4cc(C)on4)=O
InChI	InChI	1.03	InChI=1S/C16H15N7O2/c1-11-6-14(21-25-11)20-16(24)19-12-7-17-23(9-12)10-13-8-22-5-3-2-4-15(22)18-13/h2-9H,10H2,1H3,(H2,19,20,21,24)
InChIKey	InChI	1.03	BKMWCTDITJZRHD-UHFFFAOYSA-N
SMILES_CANONICAL	CACTVS	3.385	Cc1onc(NC(=O)Nc2cnn(Cc3cn4ccccc4n3)c2)c1
SMILES	CACTVS	3.385	Cc1onc(NC(=O)Nc2cnn(Cc3cn4ccccc4n3)c2)c1
SMILES_CANONICAL	OpenEye OEToolkits	2.0.6	Cc1cc(no1)NC(=O)Nc2cnn(c2)Cc3cn4ccccc4n3
SMILES	OpenEye OEToolkits	2.0.6	Cc1cc(no1)NC(=O)Nc2cnn(c2)Cc3cn4ccccc4n3

222624

數據於2024-07-17公開中

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