General Information of the Compound
| Compound ID |
CP0905357
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
SID92764831
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C17H24ClNO2
|
||||||||||||||||||
| Molecular Weight |
309.837
|
||||||||||||||||||
| Canonical SMILES |
COc1ccc(/C=C2/CCCC(CN(C)C)C2=O)cc1.Cl
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C17H23NO2.ClH/c1-18(2)12-15-6-4-5-14(17(15)19)11-13-7-9-16(20-3)10-8-13;/h7-11,15H,4-6,12H2,1-3H3;1H/b14-11-;
Show/Hide
|
||||||||||||||||||
| InChIKey |
TUQSDJUBHONAPY-IRIIKGHASA-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