General Information of the Compound
| Compound ID |
CP0875021
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
SID85272359
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C34H38N4O6S
|
||||||||||||||||||
| Molecular Weight |
630.767
|
||||||||||||||||||
| Canonical SMILES |
Cc1ccc(S(=O)(=O)N(C)C[C@H]2Oc3c(NC(=O)Nc4cccc5ccccc45)cccc3C(=O)N([C@@H](C)CO)C[C@@H]2C)cc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C34H38N4O6S/c1-22-15-17-26(18-16-22)45(42,43)37(4)20-31-23(2)19-38(24(3)21-39)33(40)28-12-8-14-30(32(28)44-31)36-34(41)35-29-13-7-10-25-9-5-6-11-27(25)29/h5-18,23-24,31,39H,19-21H2,1-4H3,(H2,35,36,41)/t23-,24-,31+/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
VPRUVRPQZVHKTA-ISTJGCCRSA-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