General Information of the Compound
| Compound ID |
CP0884471
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
SID49679576
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C21H17N3O
|
||||||||||||||||||
| Molecular Weight |
327.387
|
||||||||||||||||||
| Canonical SMILES |
Cc1cccc(-c2nc(Nc3ccc(O)cc3)c3ccccc3n2)c1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C21H17N3O/c1-14-5-4-6-15(13-14)20-23-19-8-3-2-7-18(19)21(24-20)22-16-9-11-17(25)12-10-16/h2-13,25H,1H3,(H,22,23,24)
Show/Hide
|
||||||||||||||||||
| InChIKey |
UQNNTLJQMUOLIR-UHFFFAOYSA-N
|
||||||||||||||||||
| Physicochemical Property |
"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). Show/Hide
|
||||||||||||||||||
| Click to Show/Hide the External Link(s) of This Compound | |||||||||||||||||||
| PubChem ID | |||||||||||||||||||
| ChEMBL ID | |||||||||||||||||||
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
Protein ID: PT06172, Mothers against decapentaplegic homolog 3