General Information of the Compound
Compound ID
CP0652494
Compound Name
SID17508683
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Structure
Formula
C24H20N4O2
Molecular Weight
396.45
Canonical SMILES
CN(/N=C/c1ccc(O)cc1O)c1nc(-c2ccccc2)cc(-c2ccccc2)n1
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InChI
InChI=1S/C24H20N4O2/c1-28(25-16-19-12-13-20(29)14-23(19)30)24-26-21(17-8-4-2-5-9-17)15-22(27-24)18-10-6-3-7-11-18/h2-16,29-30H,1H3/b25-16+
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InChIKey
UNVYPRQZSMDVIN-PCLIKHOPSA-N
Physicochemical Property
logP
4.6921
Rotatable Bonds
5
Heavy Atom Count
30
Polar Areas
81.84
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
6
Complexity
30

"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: 135498056
ChEMBL ID
CHEMBL3189212
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 ~ 29092.9 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 ~ 29092.9 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 = 26910 nM
   TI
   LI
   LO
   TS