General Information of the Compound
Compound ID
CP0458745
Compound Name
N-[(1R,3S)-3-aminocyclohexyl]-N-cyclobutyl-2-phenylmethoxybenzamide
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Structure
Formula
C24H30N2O2
Molecular Weight
378.516
Canonical SMILES
N[C@H]1CCC[C@H](C1)N(C1CCC1)C(=O)c1ccccc1OCc1ccccc1
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InChI
InChI=1S/C24H30N2O2/c25-19-10-6-13-21(16-19)26(20-11-7-12-20)24(27)22-14-4-5-15-23(22)28-17-18-8-2-1-3-9-18/h1-5,8-9,14-15,19-21H,6-7,10-13,16-17,25H2/t19-,21+/m0/s1
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InChIKey
JTCQVKZVLAAVDY-PZJWPPBQSA-N
Physicochemical Property
logP
4.5302
Rotatable Bonds
6
Heavy Atom Count
28
Polar Areas
55.56
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
3
Complexity
28

"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: 72545016
ChEMBL ID
CHEMBL2442033
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: PT03065, Transient receptor potential cation channel subfamily M member 8
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000006 HEK293 Homo sapiens (Human)  1
1
IC50 = 1360 nM
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