General Information of the Compound
Compound ID
CP0470026
Compound Name
N'-(4-methylphenyl)-2-oxochromene-3-carbohydrazide
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Structure
Formula
C17H14N2O3
Molecular Weight
294.31
Canonical SMILES
Cc1ccc(NNC(=O)c2cc3ccccc3oc2=O)cc1
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InChI
InChI=1S/C17H14N2O3/c1-11-6-8-13(9-7-11)18-19-16(20)14-10-12-4-2-3-5-15(12)22-17(14)21/h2-10,18H,1H3,(H,19,20)
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InChIKey
ATCIOJPNROTECZ-UHFFFAOYSA-N
Physicochemical Property
logP
2.85832
Rotatable Bonds
3
Heavy Atom Count
22
Polar Areas
71.34
Hydrogen Bond Donor Count
2
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: 56640832
SID: 134416920
ChEMBL ID
CHEMBL1830832
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 = 58430 nM
   TI
   LI
   LO
   TS