General Information of the Compound
Compound ID
CP0379305
Compound Name
2-[cyclohexyl-[2-[5-(3,4-dimethoxyphenyl)-1,2-oxazol-3-yl]acetyl]amino]-N-cyclopentylpropanamide
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Structure
Formula
C27H37N3O5
Molecular Weight
483.609
Canonical SMILES
COc1ccc(cc1OC)-c1cc(CC(=O)N(C(C)C(=O)NC2CCCC2)C2CCCCC2)no1
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InChI
InChI=1S/C27H37N3O5/c1-18(27(32)28-20-9-7-8-10-20)30(22-11-5-4-6-12-22)26(31)17-21-16-24(35-29-21)19-13-14-23(33-2)25(15-19)34-3/h13-16,18,20,22H,4-12,17H2,1-3H3,(H,28,32)
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InChIKey
KQCRREKVRMXPJP-UHFFFAOYSA-N
Physicochemical Property
logP
4.5099
Rotatable Bonds
9
Heavy Atom Count
35
Polar Areas
93.9
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
6
Complexity
35

"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: 53347989
ChEMBL ID
CHEMBL3427475
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 = 23 nM
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