General Information of the Compound
| Compound ID |
CP0500143
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
US8802673, 174
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C19H18F2N6O3
|
||||||||||||||||||
| Molecular Weight |
416.388
|
||||||||||||||||||
| Canonical SMILES |
FC(F)Oc1cnc(Oc2cnc(Nc3ccc(cc3)[C@@H]3CNCCO3)nc2)nc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C19H18F2N6O3/c20-17(21)29-14-9-25-19(26-10-14)30-15-7-23-18(24-8-15)27-13-3-1-12(2-4-13)16-11-22-5-6-28-16/h1-4,7-10,16-17,22H,5-6,11H2,(H,23,24,27)/t16-/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
BPBLWSKHFSKLGL-INIZCTEOSA-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: PT06968, Trace amine-associated receptor 7b