General Information of the Compound
| Compound ID |
CP0690769
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
1-Isopropyl-N-[[1-[2-morpholin-4-ylethyl]-4-piperidinyl]methyl]-1H-indazole-3-carboxamide dihydrochloride
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C23H37Cl2N5O2
|
||||||||||||||||||
| Molecular Weight |
486.488
|
||||||||||||||||||
| Canonical SMILES |
CC(C)n1nc(C(=O)NCC2CCN(CCN3CCOCC3)CC2)c2ccccc21.Cl.Cl
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C23H35N5O2.2ClH/c1-18(2)28-21-6-4-3-5-20(21)22(25-28)23(29)24-17-19-7-9-26(10-8-19)11-12-27-13-15-30-16-14-27;;/h3-6,18-19H,7-17H2,1-2H3,(H,24,29);2*1H
Show/Hide
|
||||||||||||||||||
| InChIKey |
FBJBOIWNNPBFCD-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: PT01307, 5-hydroxytryptamine receptor 4