General Information of the Compound
| Compound ID |
CP0649729
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(S)-N-(3-Fluorobenzyl)-N-methyl-11-aminopentacyclo[5.4.0.02,6.03,10.05,9]undecan-8-one
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C19H20FNO
|
||||||||||||||||||
| Molecular Weight |
297.373
|
||||||||||||||||||
| Canonical SMILES |
CN(Cc1cccc(F)c1)[C@H]1C2C3CC4C2C(=O)C2C4C3C21
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C19H20FNO/c1-21(7-8-3-2-4-9(20)5-8)18-14-10-6-11-13-12(10)16(18)17(13)19(22)15(11)14/h2-5,10-18H,6-7H2,1H3/t10?,11?,12?,13?,14?,15?,16?,17?,18-/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
MSTPNDDVMWUDFF-CAUKCHDASA-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