General Information of the Compound
| Compound ID |
CP0533136
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
US9029370, 41
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C17H18Cl2N4O
|
||||||||||||||||||
| Molecular Weight |
365.264
|
||||||||||||||||||
| Canonical SMILES |
Clc1ccc(NC(=O)Nc2ccc(cc2Cl)C2CCCNC2)cn1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C17H18Cl2N4O/c18-14-8-11(12-2-1-7-20-9-12)3-5-15(14)23-17(24)22-13-4-6-16(19)21-10-13/h3-6,8,10,12,20H,1-2,7,9H2,(H2,22,23,24)
Show/Hide
|
||||||||||||||||||
| InChIKey |
VPCILIVSNHJPLB-UHFFFAOYSA-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