General Information of the Compound
| Compound ID |
CP0399325
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
3-{Cyclobutyl[3-(5-fluoro-1H-indol-3-yl)propyl]amino}-8-fluoro-N,N-dimethylchromane-5-carboxamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C27H31F2N3O2
|
||||||||||||||||||
| Molecular Weight |
467.56
|
||||||||||||||||||
| Canonical SMILES |
CN(C)C(=O)c1ccc(F)c2OCC(Cc12)N(CCCc1c[nH]c2ccc(F)cc12)C1CCC1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C27H31F2N3O2/c1-31(2)27(33)21-9-10-24(29)26-23(21)14-20(16-34-26)32(19-6-3-7-19)12-4-5-17-15-30-25-11-8-18(28)13-22(17)25/h8-11,13,15,19-20,30H,3-7,12,14,16H2,1-2H3
Show/Hide
|
||||||||||||||||||
| InChIKey |
HSYWSOJIUADOFJ-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: PT00819, 5-hydroxytryptamine receptor 1A
Protein ID: PT00871, Sodium-dependent serotonin transporter