General Information of the Compound
| Compound ID |
CP0510741
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
4-methyl-5-[4-methyl-5-[2-[(2R,3R)-2-[4-(trifluoromethyl)phenyl]-5-azaspiro[2.4]heptan-5-yl]ethylsulfanyl]-1,2,4-triazol-3-yl]-1,3-oxazole
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C22H24F3N5OS
|
||||||||||||||||||
| Molecular Weight |
463.529
|
||||||||||||||||||
| Canonical SMILES |
Cc1ncoc1-c1nnc(SCCN2CC[C@@]3(C[C@@H]3c3ccc(cc3)C(F)(F)F)C2)n1C
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C22H24F3N5OS/c1-14-18(31-13-26-14)19-27-28-20(29(19)2)32-10-9-30-8-7-21(12-30)11-17(21)15-3-5-16(6-4-15)22(23,24)25/h3-6,13,17H,7-12H2,1-2H3/t17-,21-/m1/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
KLQDZSYTMPJBBU-DYESRHJHSA-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