General Information of the Compound
| Compound ID |
CP0917908
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
SID131412196
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C36H47N3O7S
|
||||||||||||||||||
| Molecular Weight |
665.853
|
||||||||||||||||||
| Canonical SMILES |
Cc1ccc(S(=O)(=O)Nc2ccc3c(c2)C(=O)N([C@H](C)CO)C[C@H](C)[C@H](CN(C)C(=O)c2ccccc2)OCCCC[C@H](C)O3)cc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C36H47N3O7S/c1-25-14-17-31(18-15-25)47(43,44)37-30-16-19-33-32(21-30)36(42)39(27(3)24-40)22-26(2)34(45-20-10-9-11-28(4)46-33)23-38(5)35(41)29-12-7-6-8-13-29/h6-8,12-19,21,26-28,34,37,40H,9-11,20,22-24H2,1-5H3/t26-,27+,28-,34-/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
GKJKATRECIJKRW-JPWDMULGSA-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