General Information of the Compound
Compound ID
CP0759992
Compound Name
SID24810147
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Structure
Formula
C14H11N3O
Molecular Weight
237.262
Canonical SMILES
Cc1ccccc1-c1nc(-c2ccccn2)no1
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InChI
InChI=1S/C14H11N3O/c1-10-6-2-3-7-11(10)14-16-13(17-18-14)12-8-4-5-9-15-12/h2-9H,1H3
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InChIKey
YRLWLALGGVGICR-UHFFFAOYSA-N
Physicochemical Property
logP
3.10702
Rotatable Bonds
2
Heavy Atom Count
18
Polar Areas
51.81
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
4
Complexity
18

"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: 700561
SID: 15121825
ChEMBL ID
CHEMBL1463529
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 ~ 23109.3 nM
   TI
   LI
   LO
   TS
Protein ID: PT06033, Microphthalmia-associated transcription factor
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000242 SK-MEL-5 Homo sapiens (Human)  1
1
AC50 = 20732 nM
   TI
   LI
   LO
   TS