General Information of the Compound
Compound ID
CP0843006
Compound Name
SID26670683
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Structure
Formula
C15H14N4O2
Molecular Weight
282.303
Canonical SMILES
COc1cccc(/C=N/Nc2nc3ccccc3[nH]2)c1O
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InChI
InChI=1S/C15H14N4O2/c1-21-13-8-4-5-10(14(13)20)9-16-19-15-17-11-6-2-3-7-12(11)18-15/h2-9,20H,1H3,(H2,17,18,19)/b16-9+
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InChIKey
GDCCYFMANFPAHA-CXUHLZMHSA-N
Physicochemical Property
logP
2.7231
Rotatable Bonds
4
Heavy Atom Count
21
Polar Areas
82.53
Hydrogen Bond Donor Count
3
Hydrogen Bond Acceptor Count
5
Complexity
21

"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: 135533746
ChEMBL ID
CHEMBL1987419
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: 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 = 5262 nM
   TI
   LI
   LO
   TS