General Information of the Compound
| Compound ID |
CP0512279
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
US9340542, 3
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C23H29N3O3
|
||||||||||||||||||
| Molecular Weight |
395.503
|
||||||||||||||||||
| Canonical SMILES |
COc1ccc2C[C@]34CC[C@]5(C[C@]3(CCN(CC3CC3)C4)c2c1)NC(=O)NC5=O
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C23H29N3O3/c1-29-17-5-4-16-11-21-6-7-23(19(27)24-20(28)25-23)13-22(21,18(16)10-17)8-9-26(14-21)12-15-2-3-15/h4-5,10,15H,2-3,6-9,11-14H2,1H3,(H2,24,25,27,28)/t21-,22+,23+/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
OWQCCLBKHGKZEW-YTFSRNRJSA-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