General Information of the Compound
| Compound ID |
CP0013934
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
US9745291, Compound 96
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C26H33N5O3
|
||||||||||||||||||
| Molecular Weight |
463.582
|
||||||||||||||||||
| Canonical SMILES |
CN1CCC(C1)n1ncc2cc(OCC(=O)NCC(O)CN3CCc4ccccc4C3)ccc12
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C26H33N5O3/c1-29-10-9-22(16-29)31-25-7-6-24(12-21(25)13-28-31)34-18-26(33)27-14-23(32)17-30-11-8-19-4-2-3-5-20(19)15-30/h2-7,12-13,22-23,32H,8-11,14-18H2,1H3,(H,27,33)
Show/Hide
|
||||||||||||||||||
| InChIKey |
QTGONXLYYHNHAG-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