General Information of the Compound
Compound ID
CP0395834
Compound Name
2-methylpropyl N-(2-oxochromen-3-yl)carbamate
    Show/Hide
Structure
Formula
C14H15NO4
Molecular Weight
261.277
Canonical SMILES
CC(C)COC(=O)Nc1cc2ccccc2oc1=O
    Show/Hide
InChI
InChI=1S/C14H15NO4/c1-9(2)8-18-14(17)15-11-7-10-5-3-4-6-12(10)19-13(11)16/h3-7,9H,8H2,1-2H3,(H,15,17)
    Show/Hide
InChIKey
WJDOZVLLYHCHJG-UHFFFAOYSA-N
Physicochemical Property
logP
2.9975
Rotatable Bonds
3
Heavy Atom Count
19
Polar Areas
68.54
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
4
Complexity
19

"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: 73353370
ChEMBL ID
CHEMBL2376888
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 = 185 nM
   TI
   LI
   LO
   TS