General Information of the Compound
Compound ID
CP0420754
Compound Name
benzyl N-(2-oxochromen-3-yl)carbamate
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Structure
Formula
C17H13NO4
Molecular Weight
295.294
Canonical SMILES
O=C(Nc1cc2ccccc2oc1=O)OCc1ccccc1
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InChI
InChI=1S/C17H13NO4/c19-16-14(10-13-8-4-5-9-15(13)22-16)18-17(20)21-11-12-6-2-1-3-7-12/h1-10H,11H2,(H,18,20)
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InChIKey
NKZOGSNXAOKDMO-UHFFFAOYSA-N
Physicochemical Property
logP
3.5417
Rotatable Bonds
3
Heavy Atom Count
22
Polar Areas
68.54
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
4
Complexity
22

"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: 71660500
ChEMBL ID
CHEMBL2376885
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 = 45 nM
   TI
   LI
   LO
   TS