General Information of the Compound
Compound ID
CP0422918
Compound Name
methyl N-[3-[4-(dimethylamino)phenyl]phenyl]carbamate
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Formula
C16H18N2O2
Molecular Weight
270.332
Canonical SMILES
COC(=O)Nc1cccc(c1)-c1ccc(cc1)N(C)C
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InChI
InChI=1S/C16H18N2O2/c1-18(2)15-9-7-12(8-10-15)13-5-4-6-14(11-13)17-16(19)20-3/h4-11H,1-3H3,(H,17,19)
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InChIKey
WGVGCMWDOQKUIL-UHFFFAOYSA-N
Physicochemical Property
logP
3.5979
Rotatable Bonds
3
Heavy Atom Count
20
Polar Areas
41.57
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
3
Complexity
20

"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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ChEMBL ID
CHEMBL4779344
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: PT04640, Patatin-like phospholipase domain-containing protein 2
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000053 COS-7 Chlorocebus aethiops (Green monkey)  1
1
IC50 = 5000 nM
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