General Information of the Compound
| Compound ID |
CP0450093
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
US8653100, 87
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C23H29ClN2O3S
|
||||||||||||||||||
| Molecular Weight |
449.016
|
||||||||||||||||||
| Canonical SMILES |
CCCS(=O)(=O)NCCOc1ccc2CCNC(c2c1)C1(CC1)c1ccc(Cl)cc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C23H29ClN2O3S/c1-2-15-30(27,28)26-13-14-29-20-8-3-17-9-12-25-22(21(17)16-20)23(10-11-23)18-4-6-19(24)7-5-18/h3-8,16,22,25-26H,2,9-15H2,1H3
Show/Hide
|
||||||||||||||||||
| InChIKey |
GBCFBCLOQGNEOP-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