General Information of the Compound
Compound ID
CP0001364
Compound Name
1,3-dihydrobenzo[f]benzimidazole-2,4,9-trione
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Structure
Formula
C11H6N2O3
Molecular Weight
214.18
Canonical SMILES
O=C1c2[nH]c(=O)[nH]c2C(=O)c2ccccc12
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InChI
InChI=1S/C11H6N2O3/c14-9-5-3-1-2-4-6(5)10(15)8-7(9)12-11(16)13-8/h1-4H,(H2,12,13,16)
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InChIKey
NVAHNAFJSDAVNN-UHFFFAOYSA-N
Physicochemical Property
logP
0.4784
Rotatable Bonds
0
Heavy Atom Count
16
Polar Areas
82.79
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
3
Complexity
16

"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: 916230
ChEMBL ID
CHEMBL1503359
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 ~ 1299.5 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 ~ 9200 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 = 5720 nM
   TI
   LI
   LO
   TS