General Information of the Compound
Compound ID
CP0802304
Compound Name
SID24809615
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Structure
Formula
C15H16N2O2
Molecular Weight
256.305
Canonical SMILES
CCOc1ccc(C(=O)Nc2cc(C)ccn2)cc1
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InChI
InChI=1S/C15H16N2O2/c1-3-19-13-6-4-12(5-7-13)15(18)17-14-10-11(2)8-9-16-14/h4-10H,3H2,1-2H3,(H,16,17,18)
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InChIKey
MOAIGLZCYFZHBG-UHFFFAOYSA-N
Physicochemical Property
logP
3.04102
Rotatable Bonds
4
Heavy Atom Count
19
Polar Areas
51.22
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
3
Complexity
19

"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: 803159
SID: 99383682
ChEMBL ID
CHEMBL1488020
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 ~ 3662.6 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 ~ 8199.5 nM
   TI
   LI
   LO
   TS
Protein ID: PT06101, Latent membrane protein 1
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000006 HEK293 Homo sapiens (Human)  1
1
AC50 = 13817 nM
   TI
   LI
   LO
   TS