General Information of the Compound
| Compound ID |
CP0500919
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
US9388171, II-64
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C27H30N6O2
|
||||||||||||||||||
| Molecular Weight |
470.577
|
||||||||||||||||||
| Canonical SMILES |
COc1ccc(cc1)[C@@H]1CN(C)C[C@H]1NC(=O)c1ccc2cnc(Nc3cc(C)nn3C)cc2c1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C27H30N6O2/c1-17-11-26(33(3)31-17)30-25-13-21-12-19(5-6-20(21)14-28-25)27(34)29-24-16-32(2)15-23(24)18-7-9-22(35-4)10-8-18/h5-14,23-24H,15-16H2,1-4H3,(H,28,30)(H,29,34)/t23-,24+/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
UXYSSMZFOQFSRB-BJKOFHAPSA-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