General Information of the Compound
Compound ID
CP0497911
Compound Name
2-[cyclohexyl-[2-[5-(3,4-dichlorophenyl)tetrazol-2-yl]acetyl]amino]-N-cyclopentylpropanamide
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Structure
Formula
C23H30Cl2N6O2
Molecular Weight
493.439
Canonical SMILES
CC(N(C1CCCCC1)C(=O)Cn1nnc(n1)-c1ccc(Cl)c(Cl)c1)C(=O)NC1CCCC1
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InChI
InChI=1S/C23H30Cl2N6O2/c1-15(23(33)26-17-7-5-6-8-17)31(18-9-3-2-4-10-18)21(32)14-30-28-22(27-29-30)16-11-12-19(24)20(25)13-16/h11-13,15,17-18H,2-10,14H2,1H3,(H,26,33)
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InChIKey
CFIVOIDZOCIZRJ-UHFFFAOYSA-N
Physicochemical Property
logP
4.2555
Rotatable Bonds
7
Heavy Atom Count
33
Polar Areas
93.01
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
6
Complexity
33

"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: 53377421
ChEMBL ID
CHEMBL3427482
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: PT06200, Scavenger receptor class B member 1
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000011 CHO Cricetulus griseus (Chinese hamster)  1
1
IC50 = 180 nM
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