General Information of the Compound
| Compound ID |
CP0435088
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
US9139585, 44A
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C25H30N4O5
|
||||||||||||||||||
| Molecular Weight |
466.538
|
||||||||||||||||||
| Canonical SMILES |
COc1cc(ncc1C#N)C(O)CN1CCN(CC(O)c2ccc3C(=O)O[C@@H](C)Cc3c2)CC1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C25H30N4O5/c1-16-9-18-10-17(3-4-20(18)25(32)34-16)22(30)14-28-5-7-29(8-6-28)15-23(31)21-11-24(33-2)19(12-26)13-27-21/h3-4,10-11,13,16,22-23,30-31H,5-9,14-15H2,1-2H3/t16-,22?,23?/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
BSJABPYOXCKEMG-BPURVQTLSA-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