General Information of the Compound
| Compound ID |
CP0550383
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
CHEMBL4126530
Show/Hide
|
||||||||||||||||||
| Formula |
C18H20F3N5O
|
||||||||||||||||||
| Molecular Weight |
379.386
|
||||||||||||||||||
| Canonical SMILES |
Cn1nc(cc1[C@@H]1[C@H]2CN(C[C@@H]12)C1COC1)-c1cnc(N)c(c1)C(F)(F)F
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C18H20F3N5O/c1-25-15(16-11-5-26(6-12(11)16)10-7-27-8-10)3-14(24-25)9-2-13(18(19,20)21)17(22)23-4-9/h2-4,10-12,16H,5-8H2,1H3,(H2,22,23)/t11-,12+,16+
Show/Hide
|
||||||||||||||||||
| InChIKey |
UYFJRVKHJDYYFQ-ATCWAGBWSA-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 | |||||||||||||||||||
| 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