4-(1-Benzhydryl-5-cyclopentyloxycarbonylamino-1H-indol-3-ylmethyl)-3-methoxy-benzoic acid

Base Information

• Chemical Name: 4-(1-Benzhydryl-5-cyclopentyloxycarbonylamino-1H-indol-3-ylmethyl)-3-methoxy-benzoic acid
• CAS No.: 241496-84-4
• Molecular Formula: C36H34N2O5
• ChEMBL ID: CHEMBL138705
• DSSTox Substance ID: DTXSID301112726
• Nikkaji Number: J2.038.521I

Synonyms:CHEMBL138705;SCHEMBL7682305;DTXSID301112726;BDBM50136737;241496-84-4;4-(1-Benzhydryl-5-cyclopentyloxycarbonylamino-1H-indol-3-ylmethyl)-3-methoxy-benzoic acid;4-[[5-[[(Cyclopentyloxy)carbonyl]amino]-1-(diphenylmethyl)-1H-indol-3-yl]methyl]-3-methoxybenzoic acid

Chemical Property of 4-(1-Benzhydryl-5-cyclopentyloxycarbonylamino-1H-indol-3-ylmethyl)-3-methoxy-benzoic acid

Chemical Property:

• XLogP3: 7.6
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 10
• Exact Mass: 574.24677219
• Heavy Atom Count: 43
• Complexity: 893

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Useful:

• Canonical SMILES: COC1=C(C=CC(=C1)C(=O)O)CC2=CN(C3=C2C=C(C=C3)NC(=O)OC4CCCC4)C(C5=CC=CC=C5)C6=CC=CC=C6

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