General Information of the Compound
| Compound ID |
CP0872446
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
SID85810736
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C36H47Cl2N3O7S
|
||||||||||||||||||
| Molecular Weight |
736.759
|
||||||||||||||||||
| Canonical SMILES |
COc1ccc(S(=O)(=O)Nc2ccc3c(c2)C(=O)N([C@H](C)CO)C[C@H](C)[C@@H](CN(C)Cc2ccc(Cl)c(Cl)c2)OCCCC[C@@H](C)O3)cc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C36H47Cl2N3O7S/c1-24-20-41(25(2)23-42)36(43)31-19-28(39-49(44,45)30-13-11-29(46-5)12-14-30)10-16-34(31)48-26(3)8-6-7-17-47-35(24)22-40(4)21-27-9-15-32(37)33(38)18-27/h9-16,18-19,24-26,35,39,42H,6-8,17,20-23H2,1-5H3/t24-,25+,26+,35+/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
RFHYGNYQOWNNBL-LFINAOHFSA-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