General Information of the Compound
| Compound ID |
CP0564970
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
US8772323, 157
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C29H37N5O3
|
||||||||||||||||||
| Molecular Weight |
503.647
|
||||||||||||||||||
| Canonical SMILES |
CCC(C)N1CCN(CCOc2cccc(c2)-c2nc3ccc(cc3o2)C2=NNC(=O)CC2CC)CC1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C29H37N5O3/c1-4-20(3)34-13-11-33(12-14-34)15-16-36-24-8-6-7-23(17-24)29-30-25-10-9-22(18-26(25)37-29)28-21(5-2)19-27(35)31-32-28/h6-10,17-18,20-21H,4-5,11-16,19H2,1-3H3,(H,31,35)
Show/Hide
|
||||||||||||||||||
| InChIKey |
QPEZBMKERWKQEU-UHFFFAOYSA-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