General Information of the Compound
Compound ID
CP0821718
Compound Name
GNF-Pf-103
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Structure
Formula
C17H18N2O4
Molecular Weight
314.341
Canonical SMILES
CC(=O)N(C)C1=C(N2CCOCC2)C(=O)c2ccccc2C1=O
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InChI
InChI=1S/C17H18N2O4/c1-11(20)18(2)14-15(19-7-9-23-10-8-19)17(22)13-6-4-3-5-12(13)16(14)21/h3-6H,7-10H2,1-2H3
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InChIKey
XLQDLTNRQJXBOY-UHFFFAOYSA-N
Physicochemical Property
logP
1.0877
Rotatable Bonds
2
Heavy Atom Count
23
Polar Areas
66.92
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
5
Complexity
23

"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: 2870836
ChEMBL ID
CHEMBL578502
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 ~ 651.3 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 ~ 1584.9 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 = 7920 nM
   TI
   LI
   LO
   TS