General Information of the Compound
Compound ID
CP0514666
Compound Name
2-[cyclohexyl-(2-phenylacetyl)amino]-N-cyclopentylpropanamide
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Structure
Formula
C22H32N2O2
Molecular Weight
356.51
Canonical SMILES
CC(N(C1CCCCC1)C(=O)Cc1ccccc1)C(=O)NC1CCCC1
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InChI
InChI=1S/C22H32N2O2/c1-17(22(26)23-19-12-8-9-13-19)24(20-14-6-3-7-15-20)21(25)16-18-10-4-2-5-11-18/h2,4-5,10-11,17,19-20H,3,6-9,12-16H2,1H3,(H,23,26)
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InChIKey
GLXXESPASNDZPB-UHFFFAOYSA-N
Physicochemical Property
logP
3.8377
Rotatable Bonds
6
Heavy Atom Count
26
Polar Areas
49.41
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
2
Complexity
26

"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: 53262920
ChEMBL ID
CHEMBL3427476
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 = 37000 nM
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