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Summary Geometry Related PDB entries

C7V

Summary

Name:	4-methyl-N-(1-{[4-(trifluoromethyl)phenyl]methyl}-1H-indazol-3-yl)-1,2-oxazole-5-carboxamide
Formula:	C20 H15 F3 N4 O2
Formal charge:	0
Formula weight:	400.354 Da
Component type:	NON-POLYMER

Chemical Identifiers

Program	Version	Name
ACDLabs	12.01	4-methyl-N-(1-{[4-(trifluoromethyl)phenyl]methyl}-1H-indazol-3-yl)-1,2-oxazole-5-carboxamide
OpenEye OEToolkits	2.0.6	4-methyl-~{N}-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]-1,2-oxazole-5-carboxamide

Chemical Descriptors

Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	c1cc(C(F)(F)F)ccc1Cn3nc(NC(=O)c2oncc2C)c4ccccc34
InChI	InChI	1.03	InChI=1S/C20H15F3N4O2/c1-12-10-24-29-17(12)19(28)25-18-15-4-2-3-5-16(15)27(26-18)11-13-6-8-14(9-7-13)20(21,22)23/h2-10H,11H2,1H3,(H,25,26,28)
InChIKey	InChI	1.03	KHOZFUGNWQHUQI-UHFFFAOYSA-N
SMILES_CANONICAL	CACTVS	3.385	Cc1cnoc1C(=O)Nc2nn(Cc3ccc(cc3)C(F)(F)F)c4ccccc24
SMILES	CACTVS	3.385	Cc1cnoc1C(=O)Nc2nn(Cc3ccc(cc3)C(F)(F)F)c4ccccc24
SMILES_CANONICAL	OpenEye OEToolkits	2.0.6	Cc1cnoc1C(=O)Nc2c3ccccc3n(n2)Cc4ccc(cc4)C(F)(F)F
SMILES	OpenEye OEToolkits	2.0.6	Cc1cnoc1C(=O)Nc2c3ccccc3n(n2)Cc4ccc(cc4)C(F)(F)F

226707

數據於2024-10-30公開中

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