General Information of the Compound
| Compound ID |
CP0665224
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
SID87337590
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C29H24N2O4S
|
||||||||||||||||||
| Molecular Weight |
496.588
|
||||||||||||||||||
| Canonical SMILES |
COc1ccc(/C=c2/sc3n(c2=O)C(c2ccccc2OC)C2=C(N=3)c3ccccc3CC2)cc1O
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C29H24N2O4S/c1-34-23-10-6-5-9-20(23)27-21-13-12-18-7-3-4-8-19(18)26(21)30-29-31(27)28(33)25(36-29)16-17-11-14-24(35-2)22(32)15-17/h3-11,14-16,27,32H,12-13H2,1-2H3/b25-16+
Show/Hide
|
||||||||||||||||||
| InChIKey |
GTSVVXUFFMUAPV-PCLIKHOPSA-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: PT06124, Paired box protein Pax-8