General Information of the Compound
| Compound ID |
CP0499635
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
US9434725, 105
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C23H25N7
|
||||||||||||||||||
| Molecular Weight |
399.502
|
||||||||||||||||||
| Canonical SMILES |
CC(C)c1cncc(c1)-c1cc2n(ncc2cn1)-c1cccc(n1)N1CCNCC1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C23H25N7/c1-16(2)17-10-18(13-25-12-17)20-11-21-19(14-26-20)15-27-30(21)23-5-3-4-22(28-23)29-8-6-24-7-9-29/h3-5,10-16,24H,6-9H2,1-2H3
Show/Hide
|
||||||||||||||||||
| InChIKey |
QUQHXWRFOPDKOE-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