General Information of the Compound
| Compound ID |
CP0420959
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(4-Methanesulfonyl-benzyl)-methyl-{1-[3-(5-[1,2,4]triazol-4-yl-1H-indol-3-yl)-propyl]-piperidin-4-yl}-amine
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C27H34N6O2S
|
||||||||||||||||||
| Molecular Weight |
506.676
|
||||||||||||||||||
| Canonical SMILES |
CN(Cc1ccc(cc1)S(C)(=O)=O)C1CCN(CCCc2c[nH]c3ccc(cc23)-n2cnnc2)CC1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C27H34N6O2S/c1-31(18-21-5-8-25(9-6-21)36(2,34)35)23-11-14-32(15-12-23)13-3-4-22-17-28-27-10-7-24(16-26(22)27)33-19-29-30-20-33/h5-10,16-17,19-20,23,28H,3-4,11-15,18H2,1-2H3
Show/Hide
|
||||||||||||||||||
| InChIKey |
JPSOZHHZNISERU-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: PT01202, 5-hydroxytryptamine receptor 1B
Protein ID: PT00827, 5-hydroxytryptamine receptor 1D