General Information of the Compound
| Compound ID |
CP0527405
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
US8835436, Example 114
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C26H32FN5O
|
||||||||||||||||||
| Molecular Weight |
449.574
|
||||||||||||||||||
| Canonical SMILES |
Cc1nc(C(=O)NCCN2CCN(CC2)c2cccc(C)c2C)c(C)n1-c1ccc(F)cc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C26H32FN5O/c1-18-6-5-7-24(19(18)2)31-16-14-30(15-17-31)13-12-28-26(33)25-20(3)32(21(4)29-25)23-10-8-22(27)9-11-23/h5-11H,12-17H2,1-4H3,(H,28,33)
Show/Hide
|
||||||||||||||||||
| InChIKey |
GOTNCIJNEMSYQD-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: PT00825, 5-hydroxytryptamine receptor 2A
Protein ID: PT00939, 5-hydroxytryptamine receptor 2C