General Information of the Compound
| Compound ID |
CP0481810
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
2-[(1S,2S)-2-(5-chloro-1H-indol-2-yl)cyclopropyl]-N-[(4-chlorophenyl)methyl]ethanamine
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C20H20Cl2N2
|
||||||||||||||||||
| Molecular Weight |
359.3
|
||||||||||||||||||
| Canonical SMILES |
Clc1ccc(CNCC[C@@H]2C[C@@H]2c2cc3cc(Cl)ccc3[nH]2)cc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C20H20Cl2N2/c21-16-3-1-13(2-4-16)12-23-8-7-14-10-18(14)20-11-15-9-17(22)5-6-19(15)24-20/h1-6,9,11,14,18,23-24H,7-8,10,12H2/t14-,18+/m1/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
WWNFLUMVIANVTH-KDOFPFPSSA-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: PT01194, Histamine H3 receptor
Protein ID: PT01711, Histamine H4 receptor