General Information of the Compound
| Compound ID |
CP0195473
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
1-Methyl-4-[8-(2-methyl-2H-tetrazol-5-ylmethyl)-10,11-dihydro-dibenzo[b,f]thiepin-10-yl]piperazine
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C22H26N6S
|
||||||||||||||||||
| Molecular Weight |
406.559
|
||||||||||||||||||
| Canonical SMILES |
CN1CCN(CC1)C1Cc2ccccc2Sc2ccc(Cc3nnn(C)n3)cc12
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C22H26N6S/c1-26-9-11-28(12-10-26)19-15-17-5-3-4-6-20(17)29-21-8-7-16(13-18(19)21)14-22-23-25-27(2)24-22/h3-8,13,19H,9-12,14-15H2,1-2H3
Show/Hide
|
||||||||||||||||||
| InChIKey |
HMSQOZVGOAWQNS-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