General Information of the Compound
| Compound ID |
CP0476857
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
US9416127, 12
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C19H18ClN5O2
|
||||||||||||||||||
| Molecular Weight |
383.839
|
||||||||||||||||||
| Canonical SMILES |
Clc1cccc(c1)-n1ncc(n1)C(=O)Nc1ccc(cc1)[C@H]1CNCCO1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C19H18ClN5O2/c20-14-2-1-3-16(10-14)25-22-11-17(24-25)19(26)23-15-6-4-13(5-7-15)18-12-21-8-9-27-18/h1-7,10-11,18,21H,8-9,12H2,(H,23,26)/t18-/m1/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
DTOFQGJNVRBQCD-GOSISDBHSA-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: PT03226, Trace amine-associated receptor 1
Protein ID: PT03501, Trace amine-associated receptor 1