General Information of the Compound
Compound ID
CP0946849
Compound Name
4-(2-benzylidenehydrazinyl)-6-methyl-2-phenylpyrimidine
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Structure
Formula
C18H16N4
Molecular Weight
288.354
Canonical SMILES
Cc1cc(N/N=C/c2ccccc2)nc(-c2ccccc2)n1
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InChI
InChI=1S/C18H16N4/c1-14-12-17(22-19-13-15-8-4-2-5-9-15)21-18(20-14)16-10-6-3-7-11-16/h2-13H,1H3,(H,20,21,22)/b19-13+
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InChIKey
UZINDJRGDDCHJW-CPNJWEJPSA-N
Physicochemical Property
logP
3.89802
Rotatable Bonds
4
Heavy Atom Count
22
Polar Areas
50.17
Hydrogen Bond Donor Count
1
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: 5332902
ChEMBL ID
CHEMBL3739652
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: PT02793, Free fatty acid receptor 1
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000088 Flp-In-293 Homo sapiens (Human)  1
1
IC50 = 251.19 nM
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