General Information of the Compound
Compound ID
CP0375841
Compound Name
N'-(2-nitrophenyl)-2-oxochromene-3-carbohydrazide
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Structure
Formula
C16H11N3O5
Molecular Weight
325.28
Canonical SMILES
[O-][N+](=O)c1ccccc1NNC(=O)c1cc2ccccc2oc1=O
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InChI
InChI=1S/C16H11N3O5/c20-15(18-17-12-6-2-3-7-13(12)19(22)23)11-9-10-5-1-4-8-14(10)24-16(11)21/h1-9,17H,(H,18,20)
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InChIKey
TXWHHGZNJPPDTL-UHFFFAOYSA-N
Physicochemical Property
logP
2.4581
Rotatable Bonds
4
Heavy Atom Count
24
Polar Areas
114.48
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
6
Complexity
24

"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: 56640831
SID: 134416919
ChEMBL ID
CHEMBL1830831
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: PT00918, Amine oxidase [flavin-containing] A
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000023 BTI-Tn-5B1-4 Trichoplusia ni (Cabbage looper)  1
1
IC50 = 39560 nM
   TI
   LI
   LO
   TS