General Information of the Compound
| Compound ID |
CP0472978
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
US11304929, Example 05-005
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C25H29ClN2O6S
|
||||||||||||||||||
| Molecular Weight |
521.035
|
||||||||||||||||||
| Canonical SMILES |
COCCC(C(=O)OC)S(=O)(=O)c1ccc(cc1)[C@@H](C)NC(=O)c1cc2c(Cl)cc(C)cc2n1C
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C25H29ClN2O6S/c1-15-12-20(26)19-14-22(28(3)21(19)13-15)24(29)27-16(2)17-6-8-18(9-7-17)35(31,32)23(10-11-33-4)25(30)34-5/h6-9,12-14,16,23H,10-11H2,1-5H3,(H,27,29)/t16-,23?/m1/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
VQJXXDXNXKWSDD-ADRQNKRLSA-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