General Information of the Compound
| Compound ID |
CP0497917
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(1R,2R)-2-(aminomethyl)-N,N-bis(prop-2-ynyl)-1-thiophen-2-ylcyclopropane-1-carboxamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C15H16N2OS
|
||||||||||||||||||
| Molecular Weight |
272.373
|
||||||||||||||||||
| Canonical SMILES |
NC[C@@H]1C[C@@]1(C(=O)N(CC#C)CC#C)c1cccs1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C15H16N2OS/c1-3-7-17(8-4-2)14(18)15(10-12(15)11-16)13-6-5-9-19-13/h1-2,5-6,9,12H,7-8,10-11,16H2/t12-,15-/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
DDNDQTODRFYZEU-WFASDCNBSA-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: PT00897, Potassium voltage-gated channel subfamily H member 2
Protein ID: PT00884, Sodium-dependent dopamine transporter
Protein ID: PT01026, Sodium-dependent noradrenaline transporter
Protein ID: PT00871, Sodium-dependent serotonin transporter