General Information of the Compound
Compound ID
CP0283529
Compound Name
4-Methoxy-benzoic acid N'-(pyridine-2-carbonyl)-hydrazide
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Structure
Formula
C14H13N3O3
Molecular Weight
271.276
Canonical SMILES
COc1ccc(cc1)C(=O)NNC(=O)c1ccccn1
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InChI
InChI=1S/C14H13N3O3/c1-20-11-7-5-10(6-8-11)13(18)16-17-14(19)12-4-2-3-9-15-12/h2-9H,1H3,(H,16,18)(H,17,19)
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InChIKey
IIVGGZPSIBJXJU-UHFFFAOYSA-N
Physicochemical Property
logP
1.165
Rotatable Bonds
3
Heavy Atom Count
20
Polar Areas
80.32
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
4
Complexity
20

"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: 789961
SID: 163455342
ChEMBL ID
CHEMBL1392570
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: PT02997, Isocitrate dehydrogenase [NADP] cytoplasmic
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000156 HT-1080 Homo sapiens (Human)  1
1
Potency ~ 20596.2 nM
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Protein ID: PT06124, Paired box protein Pax-8
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000097 RMG-I Homo sapiens (Human)  1
1
AC50 = 7510 nM
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