57P

3-(5-cyclopropyl-2,3-diphenyl-1H-indol-1-yl)propanoic acid

Created:2015-08-12
Last modified:  2016-06-22

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Chemical Details

Formal Charge0
Atom Count52
Chiral Atom Count0
Bond Count56
Aromatic Bond Count22
2D diagram of 57P

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Chemical Component Summary

Name3-(5-cyclopropyl-2,3-diphenyl-1H-indol-1-yl)propanoic acid
Systematic Name (OpenEye OEToolkits)3-(5-cyclopropyl-2,3-diphenyl-indol-1-yl)propanoic acid
FormulaC26 H23 N O2
Molecular Weight381.466
TypeNON-POLYMER

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01c25c(n(CCC(=O)O)c(c1ccccc1)c2c3ccccc3)ccc(C4CC4)c5
SMILESCACTVS3.385OC(=O)CCn1c2ccc(cc2c(c3ccccc3)c1c4ccccc4)C5CC5
SMILESOpenEye OEToolkits1.9.2c1ccc(cc1)c2c3cc(ccc3n(c2c4ccccc4)CCC(=O)O)C5CC5
Canonical SMILESCACTVS3.385 OC(=O)CCn1c2ccc(cc2c(c3ccccc3)c1c4ccccc4)C5CC5
Canonical SMILESOpenEye OEToolkits1.9.2 c1ccc(cc1)c2c3cc(ccc3n(c2c4ccccc4)CCC(=O)O)C5CC5
InChIInChI1.03 InChI=1S/C26H23NO2/c28-24(29)15-16-27-23-14-13-21(18-11-12-18)17-22(23)25(19-7-3-1-4-8-19)26(27)20-9-5-2-6-10-20/h1-10,13-14,17-18H,11-12,15-16H2,(H,28,29)
InChIKeyInChI1.03 VTCPSZSCIMRYND-UHFFFAOYSA-N

Related Resource References

Resource NameReference
Pharos CHEMBL3814575
PubChem 72695132
ChEMBL CHEMBL3814575