General Information of the Compound
| Compound ID |
CP0181328
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
2,2-difluoro-N-[3-oxo-3-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]propyl]-1,3-benzodioxole-5-carboxamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C21H20F2N2O4
|
||||||||||||||||||
| Molecular Weight |
402.397
|
||||||||||||||||||
| Canonical SMILES |
FC1(F)Oc2ccc(cc2O1)C(=O)NCCC(=O)N[C@@H]1CCCc2ccccc12
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C21H20F2N2O4/c22-21(23)28-17-9-8-14(12-18(17)29-21)20(27)24-11-10-19(26)25-16-7-3-5-13-4-1-2-6-15(13)16/h1-2,4,6,8-9,12,16H,3,5,7,10-11H2,(H,24,27)(H,25,26)/t16-/m1/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
DUWZLKSJDBFXQH-MRXNPFEDSA-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