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Summary Geometry Related PDB entries

A1BZC

Summary

Name:	cyclopropyl[(4M)-4-(1,3-oxazol-5-yl)-6-(trifluoromethyl)-1H-indol-1-yl]methanone
Formula:	C16 H11 F3 N2 O2
Formal charge:	0
Formula weight:	320.266 Da
Component type:	non-polymer

Chemical Identifiers

Program	Version	Name
ACDLabs	14.52	cyclopropyl[(4M)-4-(1,3-oxazol-5-yl)-6-(trifluoromethyl)-1H-indol-1-yl]methanone
OpenEye OEToolkits	3.1.0.0	cyclopropyl-[4-(1,3-oxazol-5-yl)-6-(trifluoromethyl)indol-1-yl]methanone

Chemical Descriptors

Type	Program	Version	Descriptor
SMILES	ACDLabs	14.52	FC(F)(F)c1cc(c2ccn(C(=O)C3CC3)c2c1)c1cnco1
InChI	InChI	1.06	InChI=1S/C16H11F3N2O2/c17-16(18,19)10-5-12(14-7-20-8-23-14)11-3-4-21(13(11)6-10)15(22)9-1-2-9/h3-9H,1-2H2
InChIKey	InChI	1.06	HWUCNNDBMZNEHC-UHFFFAOYSA-N
SMILES_CANONICAL	CACTVS	3.385	FC(F)(F)c1cc2n(ccc2c(c1)c3ocnc3)C(=O)C4CC4
SMILES	CACTVS	3.385	FC(F)(F)c1cc2n(ccc2c(c1)c3ocnc3)C(=O)C4CC4
SMILES_CANONICAL	OpenEye OEToolkits	3.1.0.0	c1cn(c2c1c(cc(c2)C(F)(F)F)c3cnco3)C(=O)C4CC4
SMILES	OpenEye OEToolkits	3.1.0.0	c1cn(c2c1c(cc(c2)C(F)(F)F)c3cnco3)C(=O)C4CC4

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