General Information of the Compound
Compound ID
CP0865922
Compound Name
GNF-Pf-2260
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Structure
Formula
C22H36N2O
Molecular Weight
344.543
Canonical SMILES
CC1CC2(C)Oc3ccccc3CC2C(C)C1CNCCCN(C)C
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InChI
InChI=1S/C22H36N2O/c1-16-14-22(3)20(13-18-9-6-7-10-21(18)25-22)17(2)19(16)15-23-11-8-12-24(4)5/h6-7,9-10,16-17,19-20,23H,8,11-15H2,1-5H3
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InChIKey
LNUAAHAFERZTED-UHFFFAOYSA-N
Physicochemical Property
logP
3.8298
Rotatable Bonds
6
Heavy Atom Count
25
Polar Areas
24.5
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
3
Complexity
25

"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: 575337
ChEMBL ID
CHEMBL601351
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 ~ 5173.5 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 ~ 5804.8 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 = 16150 nM
   TI
   LI
   LO
   TS