General Information of the Compound
| Compound ID |
CP0240470
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
1-(8-Mesityl-10,11-dihydrodibenzo[b,f]thiepin-10-yl)-4-methylpiperazine
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C28H32N2S
|
||||||||||||||||||
| Molecular Weight |
428.645
|
||||||||||||||||||
| Canonical SMILES |
CN1CCN(CC1)C1Cc2ccccc2Sc2ccc(cc12)-c1c(C)cc(C)cc1C
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C28H32N2S/c1-19-15-20(2)28(21(3)16-19)23-9-10-27-24(17-23)25(30-13-11-29(4)12-14-30)18-22-7-5-6-8-26(22)31-27/h5-10,15-17,25H,11-14,18H2,1-4H3
Show/Hide
|
||||||||||||||||||
| InChIKey |
XNFVTFMFMPGVGG-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
Protein ID: PT02060, Alpha-1A adrenergic receptor
Protein ID: PT01005, D(2) dopamine receptor