General Information of the Compound
Compound ID
CP0523213
Compound Name
4-(diaminomethylideneamino)-N-phenylbenzamide
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Structure
Formula
C14H14N4O
Molecular Weight
254.293
Canonical SMILES
NC(=N)Nc1ccc(cc1)C(=O)Nc1ccccc1
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InChI
InChI=1S/C14H14N4O/c15-14(16)18-12-8-6-10(7-9-12)13(19)17-11-4-2-1-3-5-11/h1-9H,(H,17,19)(H4,15,16,18)
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InChIKey
GRJDAVAWSPBJTJ-UHFFFAOYSA-N
Physicochemical Property
logP
2.24427
Rotatable Bonds
3
Heavy Atom Count
19
Polar Areas
91
Hydrogen Bond Donor Count
4
Hydrogen Bond Acceptor Count
2
Complexity
19

"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: 44457054
ChEMBL ID
CHEMBL535214
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: PT03019, Hepatocyte growth factor activator
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000013 Sf9 Spodoptera frugiperda (Fall armyworm)  1
1
IC50 > 50000 nM
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