General Information of the Compound
Compound ID
CP0189438
Compound Name
3,4,5,6-tetramethylphenanthrene-9,10-dione
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Structure
Formula
C18H16O2
Molecular Weight
264.324
Canonical SMILES
Cc1ccc2C(=O)C(=O)c3ccc(C)c(C)c3-c2c1C
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InChI
InChI=1S/C18H16O2/c1-9-5-7-13-15(11(9)3)16-12(4)10(2)6-8-14(16)18(20)17(13)19/h5-8H,1-4H3
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InChIKey
JTMGCXDRWXHOND-UHFFFAOYSA-N
CAS
17825-40-0
Physicochemical Property
logP
3.96628
Rotatable Bonds
0
Heavy Atom Count
20
Polar Areas
34.14
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
2
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: 282415
SID: 56343738
ChEMBL ID
CHEMBL1698715
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 ~ 3264.3 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 ~ 5804.8 nM
   TI
   LI
   LO
   TS
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 = 3670 nM
   TI
   LI
   LO
   TS