General Information of the Compound
Compound ID
CP0488009
Compound Name
3-[[4-[1-[7-fluoro-4-methyl-5-[2-methyl-4-(trifluoromethyl)phenyl]indol-1-yl]-3-methylbutyl]benzoyl]amino]propanoic acid
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Structure
Formula
C32H32F4N2O3
Molecular Weight
568.611
Canonical SMILES
CC(C)CC(c1ccc(cc1)C(=O)NCCC(O)=O)n1ccc2c(C)c(cc(F)c12)-c1ccc(cc1C)C(F)(F)F
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InChI
InChI=1S/C32H32F4N2O3/c1-18(2)15-28(21-5-7-22(8-6-21)31(41)37-13-11-29(39)40)38-14-12-25-20(4)26(17-27(33)30(25)38)24-10-9-23(16-19(24)3)32(34,35)36/h5-10,12,14,16-18,28H,11,13,15H2,1-4H3,(H,37,41)(H,39,40)
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InChIKey
NLTLIRTVOAXADO-UHFFFAOYSA-N
Physicochemical Property
logP
7.92304
Rotatable Bonds
9
Heavy Atom Count
41
Polar Areas
71.33
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
3
Complexity
41

"RO5" indicates the cutoff set by lipinski's rule of five:

(1) Molecular weight less than 500 Dalton;

(2) xlogp less than 5;

(3) No more than 5 hbonddonor (Hydrogen Bond Donor Count);

(4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count);

(5) No more than 10 rotbonds (Rotatable Bond Count).

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PubChem ID
CID: 134304793
ChEMBL ID
CHEMBL4584712
Map of Molecular Bioactivity Related to the Compound
Map of Molecular Bioactivity Related to the Compound

Compound
Cell Line
Protein

Bioactivity Value:

<= 0.1 μM
> 0.1 μM and <= 10 μM
> 10 μM
Imprecise Activity
Table of Molecular Bioactivities Related to the Compound
Protein ID: PT01473, Glucagon receptor
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000006 HEK293 Homo sapiens (Human)  1
1
Ki = 700 nM
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   LI
   LO
   TS