General Information of the Compound
| Compound ID |
CP0557624
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
US9067871, 79
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C23H31ClN2O3S
|
||||||||||||||||||
| Molecular Weight |
451.032
|
||||||||||||||||||
| Canonical SMILES |
CCCS(=O)(=O)N(C)CCOc1ccc2CCC(N)C(Cc3cccc(Cl)c3)c2c1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C23H31ClN2O3S/c1-3-13-30(27,28)26(2)11-12-29-20-9-7-18-8-10-23(25)22(21(18)16-20)15-17-5-4-6-19(24)14-17/h4-7,9,14,16,22-23H,3,8,10-13,15,25H2,1-2H3
Show/Hide
|
||||||||||||||||||
| InChIKey |
SOEMZILKVSBZJJ-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