General Information of the Compound
| Compound ID |
CP0108672
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
US8680275, 127
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C21H21FN6O
|
||||||||||||||||||
| Molecular Weight |
392.438
|
||||||||||||||||||
| Canonical SMILES |
Cc1ccnc(c1)N1C[C@@H]2CCN(C[C@H]12)C(=O)c1cc(F)ccc1-n1nccn1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C21H21FN6O/c1-14-4-6-23-20(10-14)27-12-15-5-9-26(13-19(15)27)21(29)17-11-16(22)2-3-18(17)28-24-7-8-25-28/h2-4,6-8,10-11,15,19H,5,9,12-13H2,1H3/t15-,19-/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
IWLOIZWVNYUPSQ-KXBFYZLASA-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