General Information of the Compound
| Compound ID |
CP0555547
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
US10501411, Example 288
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C18H17N5O2S
|
||||||||||||||||||
| Molecular Weight |
367.434
|
||||||||||||||||||
| Canonical SMILES |
O=C(Nc1ccc(cc1)C1CNCCO1)c1csc(n1)-c1cnccn1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C18H17N5O2S/c24-17(15-11-26-18(23-15)14-9-19-5-6-21-14)22-13-3-1-12(2-4-13)16-10-20-7-8-25-16/h1-6,9,11,16,20H,7-8,10H2,(H,22,24)
Show/Hide
|
||||||||||||||||||
| InChIKey |
ZVLYZQAHGMPBJX-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: PT03501, Trace amine-associated receptor 1
Protein ID: PT03226, Trace amine-associated receptor 1