General Information of the Compound
| Compound ID |
CP0384496
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
2-[9-[3-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]propyl]-3,9-diazaspiro[5.5]undecan-3-yl]phenol
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C27H35N5OS
|
||||||||||||||||||
| Molecular Weight |
477.678
|
||||||||||||||||||
| Canonical SMILES |
Cn1c(SCCCN2CCC3(CC2)CCN(CC3)c2ccccc2O)nnc1-c1ccccc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C27H35N5OS/c1-30-25(22-8-3-2-4-9-22)28-29-26(30)34-21-7-16-31-17-12-27(13-18-31)14-19-32(20-15-27)23-10-5-6-11-24(23)33/h2-6,8-11,33H,7,12-21H2,1H3
Show/Hide
|
||||||||||||||||||
| InChIKey |
ROHKDSZWDXPTKF-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: PT01005, D(2) dopamine receptor
Protein ID: PT00943, D(3) dopamine receptor