General Information of the Compound
Compound ID
CP0560295
Compound Name
US8802711, 60
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Formula
C20H22N2O2
Molecular Weight
322.408
Canonical SMILES
O[C@@H]1Cc2cccc(NC(=O)N[C@H]3C[C@H](C3)c3ccccc3)c2C1
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InChI
InChI=1S/C20H22N2O2/c23-17-11-14-7-4-8-19(18(14)12-17)22-20(24)21-16-9-15(10-16)13-5-2-1-3-6-13/h1-8,15-17,23H,9-12H2,(H2,21,22,24)/t15-,16+,17-/m1/s1
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InChIKey
FKXSIWZCXCHUOB-IXDOHACOSA-N
Physicochemical Property
logP
3.2138
Rotatable Bonds
3
Heavy Atom Count
24
Polar Areas
61.36
Hydrogen Bond Donor Count
3
Hydrogen Bond Acceptor Count
2
Complexity
24

"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
SID: 152141660
ChEMBL ID
CHEMBL3644115
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: PT02183, Transient receptor potential cation channel subfamily V member 1
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000006 HEK293 Homo sapiens (Human)  1
1
IC50 = 331 nM
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