General Information of the Compound
| Compound ID |
CP0457608
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
7-N-[(2S,3R)-4-(cyclopropylamino)-3-hydroxy-1-phenylbutan-2-yl]-5-N-[(1R)-1-(4-fluorophenyl)ethyl]-3,4-dihydro-2H-chromene-5,7-dicarboxamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C32H36FN3O4
|
||||||||||||||||||
| Molecular Weight |
545.655
|
||||||||||||||||||
| Canonical SMILES |
C[C@@H](NC(=O)c1cc(cc2OCCCc12)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNC1CC1)c1ccc(F)cc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C32H36FN3O4/c1-20(22-9-11-24(33)12-10-22)35-32(39)27-17-23(18-30-26(27)8-5-15-40-30)31(38)36-28(16-21-6-3-2-4-7-21)29(37)19-34-25-13-14-25/h2-4,6-7,9-12,17-18,20,25,28-29,34,37H,5,8,13-16,19H2,1H3,(H,35,39)(H,36,38)/t20-,28+,29-/m1/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
BOCRENYPEJKZOM-IEXUNWISSA-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