General Information of the Compound
Compound ID
CP0952704
Compound Name
2-(cyclohexanecarboxamido)-N-(4-fluorophenyl)benzamide
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Structure
Formula
C20H21FN2O2
Molecular Weight
340.398
Canonical SMILES
O=C(Nc1ccc(F)cc1)c1ccccc1NC(=O)C1CCCCC1
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InChI
InChI=1S/C20H21FN2O2/c21-15-10-12-16(13-11-15)22-20(25)17-8-4-5-9-18(17)23-19(24)14-6-2-1-3-7-14/h4-5,8-14H,1-3,6-7H2,(H,22,25)(H,23,24)
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InChIKey
DKCDCNHMGHPACV-UHFFFAOYSA-N
Physicochemical Property
logP
4.5968
Rotatable Bonds
4
Heavy Atom Count
25
Polar Areas
58.2
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
2
Complexity
25

"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: 32157880
ChEMBL ID
CHEMBL3716901
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: PT05999, Relaxin receptor 1
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000006 HEK293 Homo sapiens (Human)  1
1
AC50 = 37400 nM
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