General Information of the Compound
| Compound ID |
CP0559642
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
US9200001, 67
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C23H27N7O2
|
||||||||||||||||||
| Molecular Weight |
433.516
|
||||||||||||||||||
| Canonical SMILES |
COC[C@H](C)Oc1nc(cc(n1)-n1nc(C)nc1C)[C@@H]1C[C@H]1c1nc2ccccc2n1C
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C23H27N7O2/c1-13(12-31-5)32-23-26-19(11-21(27-23)30-15(3)24-14(2)28-30)16-10-17(16)22-25-18-8-6-7-9-20(18)29(22)4/h6-9,11,13,16-17H,10,12H2,1-5H3/t13-,16+,17+/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
XTTOCIBKPFNOEI-IAOVAPTHSA-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