Molecules/4-[[[1-(Quinolin-2-ylmethyl)-5-(trifluoromethyl)indole-7-carbonyl]amino]methyl]cyclohexane-1-carboxylic acid
4-[[[1-(Quinolin-2-ylmethyl)-5-(trifluoromethyl)indole-7-carbonyl]amino]methyl]cyclohexane-1-carboxylic acid
4-[[[1-(quinolin-2-ylmethyl)-5-(trifluoromethyl)indole-7-carbonyl]amino]methyl]cyclohexane-1-carboxylic acid
Molecular Identity
4-[[[1-(Quinolin-2-ylmethyl)-5-(trifluoromethyl)indole-7-carbonyl]amino]methyl]cyclohexane-1-carboxylic acid
4-[[[1-(quinolin-2-ylmethyl)-5-(trifluoromethyl)indole-7-carbonyl]amino]methyl]cyclohexane-1-carboxylic acid
PubChem CID: 44515973
2D Structure
Properties
C28H26F3N3O3
Molecular Formula
509.50
Molecular Weight
g/mol
509.1926
Exact Mass
Da
5.1
XLogP
Above Lipinski threshold
84.2
TPSA
Good oral absorption (< 140 A²)
2
H-Bond Donors
7
H-Bond Acceptors
816
Complexity
SMILES
Canonical SMILES
SMILES: C1CC(CCC1CNC(=O)C2=C3C(=CC(=C2)C(F)(F)F)C=CN3CC4=NC5=CC=CC=C5C=C4)C(=O)OIsomeric SMILES
SMILES: C1CC(CCC1CNC(=O)C2=C3C(=CC(=C2)C(F)(F)F)C=CN3CC4=NC5=CC=CC=C5C=C4)C(=O)OSynonyms(17)
ASP76571196045-28-9ASP-76574-[[[1-(quinolin-2-ylmethyl)-5-(trifluoromethyl)indole-7-carbonyl]amino]methyl]cyclohexane-1-carboxylic acidASP7657 (free base)34DDN9H2MYSCHEMBL987755orb1738211CHEMBL6068537SCHEMBL27855420SCHEMBL29466677HBDTYYZZYCVTIJ-UAPYVXQJSA-NDA-50744HY-120598CS-0078413
Data from PubChem (NCBI)
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Molecular Structure
4-[[[1-(Quinolin-2-ylmethyl)-5-(trifluoromethyl)indole-7-carbonyl]amino]methyl]cyclohexane-1-carboxylic acid
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Drug Network
Trials and conditions connected to 4-[[[1-(Quinolin-2-ylmethyl)-5-(trifluoromethyl)indole-7-carbonyl]amino]methyl]cyclohexane-1-carboxylic acid
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