General Information of the Compound
Compound ID
CP0458746
Compound Name
N-[(1R,3S)-3-aminocyclohexyl]-2-phenylmethoxy-N-propan-2-ylbenzamide
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Structure
Formula
C23H30N2O2
Molecular Weight
366.505
Canonical SMILES
CC(C)N([C@@H]1CCC[C@H](N)C1)C(=O)c1ccccc1OCc1ccccc1
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InChI
InChI=1S/C23H30N2O2/c1-17(2)25(20-12-8-11-19(24)15-20)23(26)21-13-6-7-14-22(21)27-16-18-9-4-3-5-10-18/h3-7,9-10,13-14,17,19-20H,8,11-12,15-16,24H2,1-2H3/t19-,20+/m0/s1
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InChIKey
HIMBSBQMUNDJAS-VQTJNVASSA-N
Physicochemical Property
logP
4.3861
Rotatable Bonds
6
Heavy Atom Count
27
Polar Areas
55.56
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
3
Complexity
27

"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: 72545018
ChEMBL ID
CHEMBL2442031
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 = 8780 nM
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