General Information of the Compound
| Compound ID |
CP0461387
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
3-{Cyclobutyl[3-(5-fluoro-1H-indol-3-yl)propyl]amino}-N-(cyclopropylmethyl)-8-fluorochromane-5-carboxamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C29H33F2N3O2
|
||||||||||||||||||
| Molecular Weight |
493.598
|
||||||||||||||||||
| Canonical SMILES |
Fc1ccc2[nH]cc(CCCN(C3CCC3)C3COc4c(F)ccc(C(=O)NCC5CC5)c4C3)c2c1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C29H33F2N3O2/c30-20-8-11-27-24(13-20)19(16-32-27)3-2-12-34(21-4-1-5-21)22-14-25-23(29(35)33-15-18-6-7-18)9-10-26(31)28(25)36-17-22/h8-11,13,16,18,21-22,32H,1-7,12,14-15,17H2,(H,33,35)
Show/Hide
|
||||||||||||||||||
| InChIKey |
XXNJBGZBTVVHER-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