General Information of the Compound
Compound ID
CP0505222
Compound Name
2-fluorophenyl N-[2-methyl-8-(2-methyl-4,5-diphenyl-1H-imidazol-1-yl)octan-3-yl]carbamate
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Structure
Formula
C32H36FN3O2
Molecular Weight
513.657
Canonical SMILES
CC(C)C(CCCCCn1c(C)nc(c1-c1ccccc1)-c1ccccc1)NC(=O)Oc1ccccc1F
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InChI
InChI=1S/C32H36FN3O2/c1-23(2)28(35-32(37)38-29-21-13-12-19-27(29)33)20-11-6-14-22-36-24(3)34-30(25-15-7-4-8-16-25)31(36)26-17-9-5-10-18-26/h4-5,7-10,12-13,15-19,21,23,28H,6,11,14,20,22H2,1-3H3,(H,35,37)
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InChIKey
HMJCRVRGZFQOMD-UHFFFAOYSA-N
Physicochemical Property
logP
8.03822
Rotatable Bonds
11
Heavy Atom Count
38
Polar Areas
56.15
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
4
Complexity
38

"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: 10301312
SID: 15308012
ChEMBL ID
CHEMBL233594
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 = 250 nM
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