General Information of the Compound
Compound ID
CP0546475
Compound Name
2-[cyclohexyl-[2-[5-(4-methylphenyl)tetrazol-2-yl]acetyl]amino]-N-cyclopentylpropanamide
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Structure
Formula
C24H34N6O2
Molecular Weight
438.576
Canonical SMILES
CC(N(C1CCCCC1)C(=O)Cn1nnc(n1)-c1ccc(C)cc1)C(=O)NC1CCCC1
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InChI
InChI=1S/C24H34N6O2/c1-17-12-14-19(15-13-17)23-26-28-29(27-23)16-22(31)30(21-10-4-3-5-11-21)18(2)24(32)25-20-8-6-7-9-20/h12-15,18,20-21H,3-11,16H2,1-2H3,(H,25,32)
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InChIKey
OYZHEVBWHINBJA-UHFFFAOYSA-N
Physicochemical Property
logP
3.25712
Rotatable Bonds
7
Heavy Atom Count
32
Polar Areas
93.01
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
6
Complexity
32

"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: 5018540
ChEMBL ID
CHEMBL3427487
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 = 490 nM
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