General Information of the Compound
Compound ID
CP0507880
Compound Name
N-phenyl-N-[1-(phenylcarbamoyl)cyclohexyl]-4-(tetrazol-1-yl)benzamide
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Structure
Formula
C27H26N6O2
Molecular Weight
466.545
Canonical SMILES
O=C(Nc1ccccc1)C1(CCCCC1)N(C(=O)c1ccc(cc1)-n1cnnn1)c1ccccc1
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InChI
InChI=1S/C27H26N6O2/c34-25(21-14-16-23(17-15-21)32-20-28-30-31-32)33(24-12-6-2-7-13-24)27(18-8-3-9-19-27)26(35)29-22-10-4-1-5-11-22/h1-2,4-7,10-17,20H,3,8-9,18-19H2,(H,29,35)
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InChIKey
QHOIZHYIPMMLIC-UHFFFAOYSA-N
Physicochemical Property
logP
4.6507
Rotatable Bonds
6
Heavy Atom Count
35
Polar Areas
93.01
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: 45267412
ChEMBL ID
CHEMBL563830
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: PT01298, Cannabinoid receptor 1
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000006 HEK293 Homo sapiens (Human)  1
1
Ki = 1049 nM
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   LI
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