General Information of the Compound
| Compound ID |
CP0867355
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
SID85201294
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C29H34ClN3O7S2
|
||||||||||||||||||
| Molecular Weight |
636.192
|
||||||||||||||||||
| Canonical SMILES |
C[C@H](CO)N1C[C@H](C)[C@@H](CN(C)S(=O)(=O)c2ccc(Cl)cc2)Oc2ccc(NS(=O)(=O)c3ccccc3)cc2CC1=O
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C29H34ClN3O7S2/c1-20-17-33(21(2)19-34)29(35)16-22-15-24(31-41(36,37)25-7-5-4-6-8-25)11-14-27(22)40-28(20)18-32(3)42(38,39)26-12-9-23(30)10-13-26/h4-15,20-21,28,31,34H,16-19H2,1-3H3/t20-,21+,28+/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
KYAHKDXWSROQEB-BALWLHIASA-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