General Information of the Compound
Compound ID
CP0517750
Compound Name
3-[[4-[1-[4-chloro-5-[2-methyl-4-(trifluoromethyl)phenyl]indazol-1-yl]-3-methylbutyl]benzoyl]amino]propanoic acid
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Structure
Formula
C30H29ClF3N3O3
Molecular Weight
572.027
Canonical SMILES
CC(C)CC(c1ccc(cc1)C(=O)NCCC(O)=O)n1ncc2c(Cl)c(ccc12)-c1ccc(cc1C)C(F)(F)F
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InChI
InChI=1S/C30H29ClF3N3O3/c1-17(2)14-26(19-4-6-20(7-5-19)29(40)35-13-12-27(38)39)37-25-11-10-23(28(31)24(25)16-36-37)22-9-8-21(15-18(22)3)30(32,33)34/h4-11,15-17,26H,12-14H2,1-3H3,(H,35,40)(H,38,39)
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InChIKey
MSVOUBGNBLQNER-UHFFFAOYSA-N
Physicochemical Property
logP
7.52392
Rotatable Bonds
9
Heavy Atom Count
40
Polar Areas
84.22
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
4
Complexity
40

"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: 134304209
ChEMBL ID
CHEMBL4437105
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 = 100 nM
   TI
   LI
   LO
   TS