General Information of the Compound
| Compound ID |
CP0380640
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(2R,3S)-5-[3-[[4-methyl-5-(8-oxabicyclo[3.2.1]octan-3-yl)-1,2,4-triazol-3-yl]sulfanyl]propyl]-2-[4-(trifluoromethyl)phenyl]-5-azaspiro[2.4]heptane
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C26H33F3N4OS
|
||||||||||||||||||
| Molecular Weight |
506.638
|
||||||||||||||||||
| Canonical SMILES |
Cn1c(SCCCN2CC[C@]3(C[C@@H]3c3ccc(cc3)C(F)(F)F)C2)nnc1C1CC2CCC(C1)O2
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C26H33F3N4OS/c1-32-23(18-13-20-7-8-21(14-18)34-20)30-31-24(32)35-12-2-10-33-11-9-25(16-33)15-22(25)17-3-5-19(6-4-17)26(27,28)29/h3-6,18,20-22H,2,7-16H2,1H3/t18?,20?,21?,22-,25+/m1/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
IQKUCRAAVAKXAF-CEJRHITASA-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
Protein ID: PT00897, Potassium voltage-gated channel subfamily H member 2