General Information of the Compound
| Compound ID |
CP0515677
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
US10501411, Example 270
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C16H15Cl2N3O2
|
||||||||||||||||||
| Molecular Weight |
352.221
|
||||||||||||||||||
| Canonical SMILES |
Clc1cc(cc(Cl)n1)C(=O)Nc1ccc(cc1)[C@@H]1CNCCO1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C16H15Cl2N3O2/c17-14-7-11(8-15(18)21-14)16(22)20-12-3-1-10(2-4-12)13-9-19-5-6-23-13/h1-4,7-8,13,19H,5-6,9H2,(H,20,22)/t13-/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
AIXPUCAPNGLHLG-ZDUSSCGKSA-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: PT03501, Trace amine-associated receptor 1
Protein ID: PT03226, Trace amine-associated receptor 1