General Information of the Compound
| Compound ID |
CP0556517
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
US8653100, 130
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C24H32ClN3O3S
|
||||||||||||||||||
| Molecular Weight |
478.058
|
||||||||||||||||||
| Canonical SMILES |
NCCNS(=O)(=O)CCCOc1ccc2CCNC(c2c1)C1(CCC1)c1ccc(Cl)cc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C24H32ClN3O3S/c25-20-6-4-19(5-7-20)24(10-1-11-24)23-22-17-21(8-3-18(22)9-13-27-23)31-15-2-16-32(29,30)28-14-12-26/h3-8,17,23,27-28H,1-2,9-16,26H2
Show/Hide
|
||||||||||||||||||
| InChIKey |
NOMNZXYQVSPGDA-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