General Information of the Compound
Compound ID
CP0435647
Compound Name
2-fluorophenyl N-{6-[4,5-bis(4-fluorophenyl)-2-methyl-1H-imidazol-1-yl]hexyl}carbamate
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Structure
Formula
C29H28F3N3O2
Molecular Weight
507.556
Canonical SMILES
Cc1nc(c(-c2ccc(F)cc2)n1CCCCCCNC(=O)Oc1ccccc1F)-c1ccc(F)cc1
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InChI
InChI=1S/C29H28F3N3O2/c1-20-34-27(21-10-14-23(30)15-11-21)28(22-12-16-24(31)17-13-22)35(20)19-7-3-2-6-18-33-29(36)37-26-9-5-4-8-25(26)32/h4-5,8-17H,2-3,6-7,18-19H2,1H3,(H,33,36)
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InChIKey
FROPPAHABGJTLA-UHFFFAOYSA-N
Physicochemical Property
logP
7.29182
Rotatable Bonds
10
Heavy Atom Count
37
Polar Areas
56.15
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
4
Complexity
37

"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: 10164370
SID: 15157540
ChEMBL ID
CHEMBL393156
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: PT01099, Fatty-acid amide hydrolase 1
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000008 H4 Homo sapiens (Human)  1
1
IC50 = 10 nM
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