General Information of the Compound
| Compound ID |
CP0864701
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
SID87540866
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C37H49N3O8S
|
||||||||||||||||||
| Molecular Weight |
695.879
|
||||||||||||||||||
| Canonical SMILES |
Cc1ccc(S(=O)(=O)Nc2ccc3c(c2)C(=O)N([C@H](C)CO)C[C@@H](C)[C@@H](CN(C)Cc2ccc4c(c2)OCO4)OCCCC[C@@H](C)O3)cc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C37H49N3O8S/c1-25-9-13-31(14-10-25)49(43,44)38-30-12-16-33-32(19-30)37(42)40(27(3)23-41)20-26(2)36(45-17-7-6-8-28(4)48-33)22-39(5)21-29-11-15-34-35(18-29)47-24-46-34/h9-16,18-19,26-28,36,38,41H,6-8,17,20-24H2,1-5H3/t26-,27-,28-,36-/m1/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
AXBDLHZRWNTTPP-IEPUYCOHSA-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