General Information of the Compound
| Compound ID |
CP0907265
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
SID87218848
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C37H43N3O6S
|
||||||||||||||||||
| Molecular Weight |
657.833
|
||||||||||||||||||
| Canonical SMILES |
Cc1ccc(S(=O)(=O)Nc2ccc3c(c2)CC(=O)N([C@@H](C)CO)C[C@H](C)[C@@H](CN(C)Cc2ccc(Oc4ccccc4)cc2)O3)cc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C37H43N3O6S/c1-26-10-17-34(18-11-26)47(43,44)38-31-14-19-35-30(20-31)21-37(42)40(28(3)25-41)22-27(2)36(46-35)24-39(4)23-29-12-15-33(16-13-29)45-32-8-6-5-7-9-32/h5-20,27-28,36,38,41H,21-25H2,1-4H3/t27-,28-,36+/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
KMMQDOVCDINFEJ-KAUPTSPVSA-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