General Information of the Compound
Compound ID
CP0827516
Compound Name
SID24819479
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Structure
Formula
C11H8Cl2N2O2
Molecular Weight
271.103
Canonical SMILES
COc1ccc(-n2ncc(Cl)c(Cl)c2=O)cc1
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InChI
InChI=1S/C11H8Cl2N2O2/c1-17-8-4-2-7(3-5-8)15-11(16)10(13)9(12)6-14-15/h2-6H,1H3
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InChIKey
QOHFCXUMUBYCMZ-UHFFFAOYSA-N
Physicochemical Property
logP
2.5479
Rotatable Bonds
2
Heavy Atom Count
17
Polar Areas
44.12
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
4
Complexity
17

"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: 2769258
SID: 15466756
ChEMBL ID
CHEMBL1507537
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: 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 ~ 4610.9 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 = 5620 nM
   TI
   LI
   LO
   TS