General Information of the Compound
| Compound ID |
CP0570755
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
US9221831, 43
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C35H42N2O7
|
||||||||||||||||||
| Molecular Weight |
602.728
|
||||||||||||||||||
| Canonical SMILES |
COc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)[C@]1(CC[C@@]35C[C@@H]1COCc1ccc(cc1)C(=O)NCC(O)=O)OC
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C35H42N2O7/c1-41-26-10-9-24-15-27-33-11-12-35(42-2,32-34(33,29(24)30(26)44-32)13-14-37(27)18-21-3-4-21)25(16-33)20-43-19-22-5-7-23(8-6-22)31(40)36-17-28(38)39/h5-10,21,25,27,32H,3-4,11-20H2,1-2H3,(H,36,40)(H,38,39)/t25-,27-,32-,33-,34+,35-/m1/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
DXFXLPSVVSESGD-MCAHOCMRSA-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