General Information of the Compound
| Compound ID |
CP0540682
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
US11304929, Example 05-013
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C24H27ClN2O5S
|
||||||||||||||||||
| Molecular Weight |
491.009
|
||||||||||||||||||
| Canonical SMILES |
CCC(C(=O)OC)S(=O)(=O)c1ccc(cc1)[C@@H](C)NC(=O)c1cc2c(Cl)cc(C)cc2n1C
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C24H27ClN2O5S/c1-6-22(24(29)32-5)33(30,31)17-9-7-16(8-10-17)15(3)26-23(28)21-13-18-19(25)11-14(2)12-20(18)27(21)4/h7-13,15,22H,6H2,1-5H3,(H,26,28)/t15-,22?/m1/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
DVDBEUGOXKMVPU-JGHKVMFLSA-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