General Information of the Compound
| Compound ID |
CP0556515
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
US8653100, 62
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C27H29ClN2O3S
|
||||||||||||||||||
| Molecular Weight |
497.06
|
||||||||||||||||||
| Canonical SMILES |
Clc1ccc(cc1)C1(CCC1)C1NCCc2ccc(OCCNS(=O)(=O)c3ccccc3)cc12
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C27H29ClN2O3S/c28-22-10-8-21(9-11-22)27(14-4-15-27)26-25-19-23(12-7-20(25)13-16-29-26)33-18-17-30-34(31,32)24-5-2-1-3-6-24/h1-3,5-12,19,26,29-30H,4,13-18H2
Show/Hide
|
||||||||||||||||||
| InChIKey |
GZTMLUPAAIMQIT-UHFFFAOYSA-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