General Information of the Compound
| Compound ID |
CP0420915
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
N-(cyclopropylmethyl)-N-methyl-1-[3-[5-(1,2,4-triazol-4-yl)-1H-indol-3-yl]propyl]piperidin-4-amine
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C23H32N6
|
||||||||||||||||||
| Molecular Weight |
392.551
|
||||||||||||||||||
| Canonical SMILES |
CN(CC1CC1)C1CCN(CCCc2c[nH]c3ccc(cc23)-n2cnnc2)CC1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C23H32N6/c1-27(15-18-4-5-18)20-8-11-28(12-9-20)10-2-3-19-14-24-23-7-6-21(13-22(19)23)29-16-25-26-17-29/h6-7,13-14,16-18,20,24H,2-5,8-12,15H2,1H3
Show/Hide
|
||||||||||||||||||
| InChIKey |
MWPMCHSWQPQIKJ-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