General Information of the Compound
| Compound ID |
CP0910489
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
SID87218869
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C36H40ClN3O6S
|
||||||||||||||||||
| Molecular Weight |
678.251
|
||||||||||||||||||
| Canonical SMILES |
C[C@H](CO)N1C[C@H](C)[C@@H](CN(C)Cc2ccc(Oc3ccccc3)cc2)Oc2ccc(NS(=O)(=O)c3ccc(Cl)cc3)cc2CC1=O
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C36H40ClN3O6S/c1-25-21-40(26(2)24-41)36(42)20-28-19-30(38-47(43,44)33-16-11-29(37)12-17-33)13-18-34(28)46-35(25)23-39(3)22-27-9-14-32(15-10-27)45-31-7-5-4-6-8-31/h4-19,25-26,35,38,41H,20-24H2,1-3H3/t25-,26+,35+/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
KHFPDWFEACXBKS-XLCATFGMSA-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