General Information of the Compound
| Compound ID |
CP0553619
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
CHEMBL2160030
Show/Hide
|
||||||||||||||||||
| Formula |
C28H27Cl2N3OS
|
||||||||||||||||||
| Molecular Weight |
524.517
|
||||||||||||||||||
| Canonical SMILES |
CN[C@H]1CC[C@H](CC1)N(Cc1cccc(c1)-c1ccncc1)C(=O)c1sc2cccc(Cl)c2c1Cl
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C28H27Cl2N3OS/c1-31-21-8-10-22(11-9-21)33(17-18-4-2-5-20(16-18)19-12-14-32-15-13-19)28(34)27-26(30)25-23(29)6-3-7-24(25)35-27/h2-7,12-16,21-22,31H,8-11,17H2,1H3/t21-,22+
Show/Hide
|
||||||||||||||||||
| InChIKey |
OBYJCKCGYTYXFN-SZPZYZBQSA-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