General Information of the Compound
| Compound ID |
CP0529051
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
US9434725, 107
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C24H27N7
|
||||||||||||||||||
| Molecular Weight |
413.529
|
||||||||||||||||||
| Canonical SMILES |
CC(C)c1cncc(c1)-c1cc2n(ncc2cn1)-c1cccc(n1)N1CCC[C@@H](N)C1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C24H27N7/c1-16(2)17-9-18(12-26-11-17)21-10-22-19(13-27-21)14-28-31(22)24-7-3-6-23(29-24)30-8-4-5-20(25)15-30/h3,6-7,9-14,16,20H,4-5,8,15,25H2,1-2H3/t20-/m1/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
HRAGREQODMBNFS-HXUWFJFHSA-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