General Information of the Compound
| Compound ID |
CP0943342
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
SID121282541
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C28H29ClN2O7S
|
||||||||||||||||||
| Molecular Weight |
573.067
|
||||||||||||||||||
| Canonical SMILES |
COc1cccc(S(=O)(=O)Nc2ccc3c(c2)[C@@H]2C[C@@H](CC(=O)NCc4ccc(Cl)cc4)O[C@@H](CO)[C@@H]2O3)c1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C28H29ClN2O7S/c1-36-20-3-2-4-22(12-20)39(34,35)31-19-9-10-25-23(11-19)24-13-21(37-26(16-32)28(24)38-25)14-27(33)30-15-17-5-7-18(29)8-6-17/h2-12,21,24,26,28,31-32H,13-16H2,1H3,(H,30,33)/t21-,24-,26-,28+/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
XHFXJTPXFPIUNX-IXQFDHPPSA-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: PT02997, Isocitrate dehydrogenase [NADP] cytoplasmic
Protein ID: PT06124, Paired box protein Pax-8