General Information of the Compound
| Compound ID |
CP0418119
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
US9200001, 81
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C24H22N8
|
||||||||||||||||||
| Molecular Weight |
422.496
|
||||||||||||||||||
| Canonical SMILES |
Cc1nc(-c2cccnc2)n(n1)-c1cc(nc(C)n1)[C@H]1C[C@@H]1c1nc2ccccc2n1C
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C24H22N8/c1-14-26-20(17-11-18(17)24-29-19-8-4-5-9-21(19)31(24)3)12-22(27-14)32-23(28-15(2)30-32)16-7-6-10-25-13-16/h4-10,12-13,17-18H,11H2,1-3H3/t17-,18-/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
KDJHSBLGDATOBG-ROUUACIJSA-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