General Information of the Compound
| Compound ID |
CP0578662
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
US9108947, 13
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C25H30N4O4
|
||||||||||||||||||
| Molecular Weight |
450.539
|
||||||||||||||||||
| Canonical SMILES |
Cc1c2COC(=O)c2ccc1[C@@H](O)CN1CCCCC1CNCC(O)c1ccc(cn1)C#N
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C25H30N4O4/c1-16-19(6-7-20-21(16)15-33-25(20)32)24(31)14-29-9-3-2-4-18(29)12-27-13-23(30)22-8-5-17(10-26)11-28-22/h5-8,11,18,23-24,27,30-31H,2-4,9,12-15H2,1H3/t18?,23?,24-/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
MDGLBWJQRUDEDM-WQMGSUCASA-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