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Summary Geometry Related PDB entries

A1IPV

Summary

Name:	4-[5-chloranyl-1-[2-chloranyl-6-(trifluoromethyl)phenyl]carbonyl-indazol-3-yl]-3-[[3-(trifluoromethyloxy)phenyl]methoxy]benzoic acid
Formula:	C30 H16 Cl2 F6 N2 O5
Formal charge:	0
Formula weight:	669.355 Da
Component type:	non-polymer

Chemical Identifiers

Program	Version	Name
OpenEye OEToolkits	2.0.7	4-[5-chloranyl-1-[2-chloranyl-6-(trifluoromethyl)phenyl]carbonyl-indazol-3-yl]-3-[[3-(trifluoromethyloxy)phenyl]methoxy]benzoic acid

Chemical Descriptors

Type	Program	Version	Descriptor
InChI	InChI	1.06	InChI=1S/C30H16Cl2F6N2O5/c31-17-8-10-23-20(13-17)26(39-40(23)27(41)25-21(29(33,34)35)5-2-6-22(25)32)19-9-7-16(28(42)43)12-24(19)44-14-15-3-1-4-18(11-15)45-30(36,37)38/h1-13H,14H2,(H,42,43)
InChIKey	InChI	1.06	OYWMVGCZKHNEKM-UHFFFAOYSA-N
SMILES_CANONICAL	CACTVS	3.385	OC(=O)c1ccc(c(OCc2cccc(OC(F)(F)F)c2)c1)c3nn(C(=O)c4c(Cl)cccc4C(F)(F)F)c5ccc(Cl)cc35
SMILES	CACTVS	3.385	OC(=O)c1ccc(c(OCc2cccc(OC(F)(F)F)c2)c1)c3nn(C(=O)c4c(Cl)cccc4C(F)(F)F)c5ccc(Cl)cc35
SMILES_CANONICAL	OpenEye OEToolkits	2.0.7	c1cc(cc(c1)OC(F)(F)F)COc2cc(ccc2c3c4cc(ccc4n(n3)C(=O)c5c(cccc5Cl)C(F)(F)F)Cl)C(=O)O
SMILES	OpenEye OEToolkits	2.0.7	c1cc(cc(c1)OC(F)(F)F)COc2cc(ccc2c3c4cc(ccc4n(n3)C(=O)c5c(cccc5Cl)C(F)(F)F)Cl)C(=O)O

250359

PDB entries from 2026-03-11

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