General Information of the Compound
| Compound ID |
CP0878201
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
SID49826806
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C21H26N4O2S
|
||||||||||||||||||
| Molecular Weight |
398.532
|
||||||||||||||||||
| Canonical SMILES |
Cc1ccc(S(=O)(=O)Nc2ccc3c(c2)nc(CCN2CCCC2)n3C)cc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C21H26N4O2S/c1-16-5-8-18(9-6-16)28(26,27)23-17-7-10-20-19(15-17)22-21(24(20)2)11-14-25-12-3-4-13-25/h5-10,15,23H,3-4,11-14H2,1-2H3
Show/Hide
|
||||||||||||||||||
| InChIKey |
XKEIWZJPPFBGCS-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