General Information of the Compound
| Compound ID |
CP0564405
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
US9221831, 64
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C33H42N2O6S
|
||||||||||||||||||
| Molecular Weight |
594.774
|
||||||||||||||||||
| Canonical SMILES |
COc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)[C@]1(CC[C@@]35C[C@@H]1COCc1cccc(NS(C)(=O)=O)c1)OC
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C33H42N2O6S/c1-38-26-10-9-23-16-27-31-11-12-33(39-2,24(17-31)20-40-19-22-5-4-6-25(15-22)34-42(3,36)37)30-32(31,28(23)29(26)41-30)13-14-35(27)18-21-7-8-21/h4-6,9-10,15,21,24,27,30,34H,7-8,11-14,16-20H2,1-3H3/t24-,27-,30-,31-,32+,33-/m1/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
RDTYIZMQPMODAC-DPVGNNOYSA-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