General Information of the Compound
Compound ID
CP0232878
Compound Name
2-methylene-1,3,5-triphenyl-pentane-1,5-dione
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Structure
Formula
C24H20O2
Molecular Weight
340.422
Canonical SMILES
C=C(C(CC(=O)c1ccccc1)c1ccccc1)C(=O)c1ccccc1
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InChI
InChI=1S/C24H20O2/c1-18(24(26)21-15-9-4-10-16-21)22(19-11-5-2-6-12-19)17-23(25)20-13-7-3-8-14-20/h2-16,22H,1,17H2
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InChIKey
NRJUDVPOGVERHI-UHFFFAOYSA-N
Physicochemical Property
logP
5.4823
Rotatable Bonds
7
Heavy Atom Count
26
Polar Areas
34.14
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
2
Complexity
26

"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: 3715215
SID: 16038240
ChEMBL ID
CHEMBL1505474
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: PT06109, Geminin
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000015 SW480 Homo sapiens (Human)  1
1
Potency ~ 18356.4 nM
   TI
   LI
   LO
   TS
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 ~ 6513.1 nM
   TI
   LI
   LO
   TS
Protein ID: PT06101, Latent membrane protein 1
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000006 HEK293 Homo sapiens (Human)  1
1
AC50 = 42872 nM
   TI
   LI
   LO
   TS