General Information of the Compound
| Compound ID |
CP0781899
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
SID17505822
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C29H24N2O4S
|
||||||||||||||||||
| Molecular Weight |
496.588
|
||||||||||||||||||
| Canonical SMILES |
COc1cccc(C2C3=C(N=c4s/c(=C\c5cccc(O)c5)c(=O)n42)c2ccccc2CC3)c1OC
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C29H24N2O4S/c1-34-23-12-6-11-22(27(23)35-2)26-21-14-13-18-8-3-4-10-20(18)25(21)30-29-31(26)28(33)24(36-29)16-17-7-5-9-19(32)15-17/h3-12,15-16,26,32H,13-14H2,1-2H3/b24-16-
Show/Hide
|
||||||||||||||||||
| InChIKey |
NSORTSDKYXPARM-JLPGSUDCSA-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