General Information of the Compound
Compound ID
CP0190066
Compound Name
[4-[(E)-3-[4-(dimethylamino)phenyl]prop-2-enoyl]-3-hydroxyphenyl] N-ethyl-N-methylcarbamate
    Show/Hide
Structure
Formula
C21H24N2O4
Molecular Weight
368.433
Canonical SMILES
CCN(C)C(=O)Oc1ccc(C(=O)\C=C\c2ccc(cc2)N(C)C)c(O)c1
    Show/Hide
InChI
InChI=1S/C21H24N2O4/c1-5-23(4)21(26)27-17-11-12-18(20(25)14-17)19(24)13-8-15-6-9-16(10-7-15)22(2)3/h6-14,25H,5H2,1-4H3/b13-8+
    Show/Hide
InChIKey
TZPOVCKUSGTABO-MDWZMJQESA-N
Physicochemical Property
logP
3.8048
Rotatable Bonds
6
Heavy Atom Count
27
Polar Areas
70.08
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
5
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).

    Show/Hide
Click to Show/Hide the External Link(s) of This Compound
PubChem ID
CID: 134131068
ChEMBL ID
CHEMBL3883374
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: PT01362, Amine oxidase [flavin-containing] B
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000023 BTI-Tn-5B1-4 Trichoplusia ni (Cabbage looper)  1
1
IC50 = 2100 nM
   TI
   LI
   LO
   TS