General Information of the Compound
| Compound ID |
CP0518311
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
US9221831, 17
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C30H36N2O4
|
||||||||||||||||||
| Molecular Weight |
488.628
|
||||||||||||||||||
| Canonical SMILES |
CO[C@]12CC[C@@]3(C[C@@H]1COCc1ccccc1)[C@H]1Cc4ccc(NC(C)=O)c5O[C@@H]2[C@]3(CCN1C)c45
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C30H36N2O4/c1-19(33)31-23-10-9-21-15-24-28-11-12-30(34-3,22(16-28)18-35-17-20-7-5-4-6-8-20)27-29(28,13-14-32(24)2)25(21)26(23)36-27/h4-10,22,24,27H,11-18H2,1-3H3,(H,31,33)/t22-,24-,27-,28-,29+,30-/m1/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
WVIVIJLVLLLXNW-CLRRHZRJSA-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