General Information of the Compound
Compound ID
CP0885892
Compound Name
SID24798802
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Structure
Formula
C24H27N5
Molecular Weight
385.515
Canonical SMILES
Cc1ccc(-n2cc(CNCCCn3cccn3)c(-c3cccc(C)c3)n2)cc1
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InChI
InChI=1S/C24H27N5/c1-19-8-10-23(11-9-19)29-18-22(17-25-12-4-14-28-15-5-13-26-28)24(27-29)21-7-3-6-20(2)16-21/h3,5-11,13,15-16,18,25H,4,12,14,17H2,1-2H3
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InChIKey
WTEOAHRLJGTWRZ-UHFFFAOYSA-N
Physicochemical Property
logP
4.53254
Rotatable Bonds
8
Heavy Atom Count
29
Polar Areas
47.67
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
5
Complexity
29

"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: 16190473
ChEMBL ID
CHEMBL1610029
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 = 20142 nM
   TI
   LI
   LO
   TS