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Summary Geometry Related PDB entries

A1CX7

Summary

Name:	4,4-dimethyl-3-{[8-(trifluoromethyl)-9H-pyrimido[4,5-b]indol-4-yl]amino}-1,3-oxazolidin-2-one
Formula:	C16 H14 F3 N5 O2
Formal charge:	0
Formula weight:	365.31 Da
Component type:	non-polymer

Chemical Identifiers

Program	Version	Name
ACDLabs	14.52	4,4-dimethyl-3-{[8-(trifluoromethyl)-9H-pyrimido[4,5-b]indol-4-yl]amino}-1,3-oxazolidin-2-one
OpenEye OEToolkits	3.1.0.0	4,4-dimethyl-3-[[8-(trifluoromethyl)-9~{H}-pyrimido[4,5-b]indol-4-yl]amino]-1,3-oxazolidin-2-one

Chemical Descriptors

Type	Program	Version	Descriptor
SMILES	ACDLabs	14.52	CC1(C)COC(=O)N1Nc1ncnc2[NH]c3c(cccc3C(F)(F)F)c12
InChI	InChI	1.06	InChI=1S/C16H14F3N5O2/c1-15(2)6-26-14(25)24(15)23-13-10-8-4-3-5-9(16(17,18)19)11(8)22-12(10)20-7-21-13/h3-5,7H,6H2,1-2H3,(H2,20,21,22,23)
InChIKey	InChI	1.06	UNLFVZOIQHHCET-UHFFFAOYSA-N
SMILES_CANONICAL	CACTVS	3.385	CC1(C)COC(=O)N1Nc2ncnc3[nH]c4c(cccc4C(F)(F)F)c23
SMILES	CACTVS	3.385	CC1(C)COC(=O)N1Nc2ncnc3[nH]c4c(cccc4C(F)(F)F)c23
SMILES_CANONICAL	OpenEye OEToolkits	3.1.0.0	CC1(COC(=O)N1Nc2c3c4cccc(c4[nH]c3ncn2)C(F)(F)F)C
SMILES	OpenEye OEToolkits	3.1.0.0	CC1(COC(=O)N1Nc2c3c4cccc(c4[nH]c3ncn2)C(F)(F)F)C

248636

PDB entries from 2026-02-04

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