General Information of the Compound
| Compound ID |
CP0468441
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
US8754075, 13
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C18H18F2N4O3
|
||||||||||||||||||
| Molecular Weight |
376.363
|
||||||||||||||||||
| Canonical SMILES |
COc1ccc(nc1)C(=O)Nc1ccc(F)c(c1)[C@@]1(C)N=C(N)OC[C@@H]1F
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C18H18F2N4O3/c1-18(15(20)9-27-17(21)24-18)12-7-10(3-5-13(12)19)23-16(25)14-6-4-11(26-2)8-22-14/h3-8,15H,9H2,1-2H3,(H2,21,24)(H,23,25)/t15-,18+/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
VVMUTCSDIWXUCG-MAUKXSAKSA-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
Protein ID: PT01020, Beta-secretase 1
Protein ID: PT01134, Beta-secretase 2