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Summary Geometry Related PDB entries

ZMX

Summary

Name:	(2M)-N-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)-2-[5-(4-methylphenyl)-1,3-oxazol-2-yl]benzamide
Formula:	C28 H24 N4 O3
Formal charge:	0
Formula weight:	464.515 Da
Component type:	non-polymer

Chemical Identifiers

Program	Version	Name
ACDLabs	12.01	(2M)-N-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)-2-[5-(4-methylphenyl)-1,3-oxazol-2-yl]benzamide
OpenEye OEToolkits	2.0.7	~{N}-(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)-2-[5-(4-methylphenyl)-1,3-oxazol-2-yl]benzamide

Chemical Descriptors

Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	CC=1N(C)N(c2ccccc2)C(=O)C=1NC(=O)c1ccccc1c1ncc(o1)c1ccc(C)cc1
InChI	InChI	1.06	InChI=1S/C28H24N4O3/c1-18-13-15-20(16-14-18)24-17-29-27(35-24)23-12-8-7-11-22(23)26(33)30-25-19(2)31(3)32(28(25)34)21-9-5-4-6-10-21/h4-17H,1-3H3,(H,30,33)
InChIKey	InChI	1.06	MWAFTVRXNXVJSM-UHFFFAOYSA-N
SMILES_CANONICAL	CACTVS	3.385	CN1N(C(=O)C(=C1C)NC(=O)c2ccccc2c3oc(cn3)c4ccc(C)cc4)c5ccccc5
SMILES	CACTVS	3.385	CN1N(C(=O)C(=C1C)NC(=O)c2ccccc2c3oc(cn3)c4ccc(C)cc4)c5ccccc5
SMILES_CANONICAL	OpenEye OEToolkits	2.0.7	Cc1ccc(cc1)c2cnc(o2)c3ccccc3C(=O)NC4=C(N(N(C4=O)c5ccccc5)C)C
SMILES	OpenEye OEToolkits	2.0.7	Cc1ccc(cc1)c2cnc(o2)c3ccccc3C(=O)NC4=C(N(N(C4=O)c5ccccc5)C)C

227344

건을2024-11-13부터공개중

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