General Information of the Compound
| Compound ID |
CP0451032
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
1-[(11R)-11-phenyl-1,10-diazatricyclo[9.2.1.03,8]tetradeca-3,5,7-trien-10-yl]propan-1-one
Show/Hide
|
||||||||||||||||||
| Formula |
C21H24N2O
|
||||||||||||||||||
| Molecular Weight |
320.436
|
||||||||||||||||||
| Canonical SMILES |
CCC(=O)N1Cc2ccccc2CN2CC[C@]1(C2)c1ccccc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C21H24N2O/c1-2-20(24)23-15-18-9-7-6-8-17(18)14-22-13-12-21(23,16-22)19-10-4-3-5-11-19/h3-11H,2,12-16H2,1H3/t21-/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
BPYLNNSDHXOSED-NRFANRHFSA-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