General Information of the Compound
Compound ID
CP0501301
Compound Name
2-oxochromene-3-carbohydrazide
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Structure
Formula
C10H8N2O3
Molecular Weight
204.185
Canonical SMILES
NNC(=O)c1cc2ccccc2oc1=O
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InChI
InChI=1S/C10H8N2O3/c11-12-9(13)7-5-6-3-1-2-4-8(6)15-10(7)14/h1-5H,11H2,(H,12,13)
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InChIKey
CYBJAPNIFNGQQR-UHFFFAOYSA-N
Physicochemical Property
logP
0.3965
Rotatable Bonds
1
Heavy Atom Count
15
Polar Areas
85.33
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
4
Complexity
15

"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: 599722
SID: 15266316
ChEMBL ID
CHEMBL1830829
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 = 3.22 nM
   TI
   LI
   LO
   TS