General Information of the Compound
Compound ID
CP0488004
Compound Name
3-[[4-[1-[5-(3,5-dichlorophenyl)indazol-1-yl]-3-methylbutyl]benzoyl]amino]propanoic acid
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Structure
Formula
C28H27Cl2N3O3
Molecular Weight
524.448
Canonical SMILES
CC(C)CC(c1ccc(cc1)C(=O)NCCC(O)=O)n1ncc2cc(ccc12)-c1cc(Cl)cc(Cl)c1
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InChI
InChI=1S/C28H27Cl2N3O3/c1-17(2)11-26(18-3-5-19(6-4-18)28(36)31-10-9-27(34)35)33-25-8-7-20(12-22(25)16-32-33)21-13-23(29)15-24(30)14-21/h3-8,12-17,26H,9-11H2,1-2H3,(H,31,36)(H,34,35)
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InChIKey
BWEFDLLLWJITJK-UHFFFAOYSA-N
Physicochemical Property
logP
6.8501
Rotatable Bonds
9
Heavy Atom Count
36
Polar Areas
84.22
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
4
Complexity
36

"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: 155558364
ChEMBL ID
CHEMBL4560433
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 = 1650 nM
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