General Information of the Compound
| Compound ID |
CP0898681
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
SID57265093
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C22H21ClN2O3
|
||||||||||||||||||
| Molecular Weight |
396.874
|
||||||||||||||||||
| Canonical SMILES |
COc1ccccc1N1CCN(C(=O)c2ccc(-c3ccc(Cl)cc3)o2)CC1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C22H21ClN2O3/c1-27-20-5-3-2-4-18(20)24-12-14-25(15-13-24)22(26)21-11-10-19(28-21)16-6-8-17(23)9-7-16/h2-11H,12-15H2,1H3
Show/Hide
|
||||||||||||||||||
| InChIKey |
ONVIOWSQORBNIC-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: PT02997, Isocitrate dehydrogenase [NADP] cytoplasmic
Protein ID: PT06172, Mothers against decapentaplegic homolog 3