General Information of the Compound
| Compound ID |
CP0377714
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
CHEMBL52382
Show/Hide
|
||||||||||||||||||
| Formula |
C25H27Cl2N3O3S
|
||||||||||||||||||
| Molecular Weight |
520.482
|
||||||||||||||||||
| Canonical SMILES |
Clc1ccc(NC(=O)NC[C@H]2CC[C@H](CNS(=O)(=O)c3cccc4ccccc34)CC2)cc1Cl
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C25H27Cl2N3O3S/c26-22-13-12-20(14-23(22)27)30-25(31)28-15-17-8-10-18(11-9-17)16-29-34(32,33)24-7-3-5-19-4-1-2-6-21(19)24/h1-7,12-14,17-18,29H,8-11,15-16H2,(H2,28,30,31)/t17-,18-
Show/Hide
|
||||||||||||||||||
| InChIKey |
RGTBNMYTVNNMRA-IYARVYRRSA-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 | |||||||||||||||||||
| 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