General Information of the Compound
Compound ID
CP0637398
Compound Name
SID24791500
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Structure
Formula
C26H19N3O4
Molecular Weight
437.455
Canonical SMILES
O=C(N/N=C/c1ccc(O)cc1O)c1ccc(CN2C(=O)c3cccc4cccc2c34)cc1
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InChI
InChI=1S/C26H19N3O4/c30-20-12-11-19(23(31)13-20)14-27-28-25(32)18-9-7-16(8-10-18)15-29-22-6-2-4-17-3-1-5-21(24(17)22)26(29)33/h1-14,30-31H,15H2,(H,28,32)/b27-14+
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InChIKey
YPHLIIOUWDBJDG-MZJWZYIUSA-N
Physicochemical Property
logP
4.1753
Rotatable Bonds
5
Heavy Atom Count
33
Polar Areas
102.23
Hydrogen Bond Donor Count
3
Hydrogen Bond Acceptor Count
5
Complexity
33

"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: 135433226
ChEMBL ID
CHEMBL3195241
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 ~ 5804.8 nM
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   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 = 9410 nM
   TI
   LI
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   TS