General Information of the Compound
| Compound ID |
CP0560320
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
[6-(3-phenylpropylamino)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl]methanol
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C19H25NOS
|
||||||||||||||||||
| Molecular Weight |
315.482
|
||||||||||||||||||
| Canonical SMILES |
OCc1cc2CCC(CCc2s1)NCCCc1ccccc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C19H25NOS/c21-14-18-13-16-8-9-17(10-11-19(16)22-18)20-12-4-7-15-5-2-1-3-6-15/h1-3,5-6,13,17,20-21H,4,7-12,14H2
Show/Hide
|
||||||||||||||||||
| InChIKey |
BHQKYFPBMUXBJD-UHFFFAOYSA-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