General Information of the Compound
| Compound ID |
CP0883461
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
SID134961958
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C30H36N2O6S
|
||||||||||||||||||
| Molecular Weight |
552.693
|
||||||||||||||||||
| Canonical SMILES |
COc1cccc(S(=O)(=O)N(C)C[C@@H]2OCc3ccccc3-c3ccccc3C(=O)N([C@@H](C)CO)C[C@@H]2C)c1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C30H36N2O6S/c1-21-17-32(22(2)19-33)30(34)28-15-8-7-14-27(28)26-13-6-5-10-23(26)20-38-29(21)18-31(3)39(35,36)25-12-9-11-24(16-25)37-4/h5-16,21-22,29,33H,17-20H2,1-4H3/t21-,22-,29-/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
GTRXSASKUSVSHJ-SYZUXVNWSA-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