General Information of the Compound
| Compound ID |
CP0864735
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
SID51090004
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C23H30ClN3O5S2
|
||||||||||||||||||
| Molecular Weight |
528.096
|
||||||||||||||||||
| Canonical SMILES |
COc1ccc(OC)c2sc(N(CCCN(C)C)C(=O)CCS(=O)(=O)c3ccccc3)nc12.Cl
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C23H29N3O5S2.ClH/c1-25(2)14-8-15-26(20(27)13-16-33(28,29)17-9-6-5-7-10-17)23-24-21-18(30-3)11-12-19(31-4)22(21)32-23;/h5-7,9-12H,8,13-16H2,1-4H3;1H
Show/Hide
|
||||||||||||||||||
| InChIKey |
VZFLLYUEIZUHFY-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: PT06124, Paired box protein Pax-8