General Information of the Compound
Compound ID
CP0517443
Compound Name
N-[(1R)-2-amino-2-oxo-1-phenylethyl]-N-[(1R)-1-(3-chlorophenyl)ethyl]-2-hydroxybenzamide
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Structure
Formula
C23H21ClN2O3
Molecular Weight
408.885
Canonical SMILES
C[C@@H](N([C@@H](C(N)=O)c1ccccc1)C(=O)c1ccccc1O)c1cccc(Cl)c1
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InChI
InChI=1S/C23H21ClN2O3/c1-15(17-10-7-11-18(24)14-17)26(23(29)19-12-5-6-13-20(19)27)21(22(25)28)16-8-3-2-4-9-16/h2-15,21,27H,1H3,(H2,25,28)/t15-,21-/m1/s1
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InChIKey
URBCNRMQNVVHHJ-QVKFZJNVSA-N
Physicochemical Property
logP
4.4756
Rotatable Bonds
6
Heavy Atom Count
29
Polar Areas
83.63
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
3
Complexity
29

"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: 118246812
ChEMBL ID
CHEMBL3944840
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 = 100 nM
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