General Information of the Compound
| Compound ID |
CP0465619
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
2-[2-(2-hydroxy-2-methylpropyl)-1,2,4-triazol-3-yl]-4,5-dihydrothieno[3,2-d][1]benzoxepine-8-carboxamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C19H20N4O3S
|
||||||||||||||||||
| Molecular Weight |
384.461
|
||||||||||||||||||
| Canonical SMILES |
CC(C)(O)Cn1ncnc1-c1cc2CCOc3cc(ccc3-c2s1)C(N)=O
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C19H20N4O3S/c1-19(2,25)9-23-18(21-10-22-23)15-8-11-5-6-26-14-7-12(17(20)24)3-4-13(14)16(11)27-15/h3-4,7-8,10,25H,5-6,9H2,1-2H3,(H2,20,24)
Show/Hide
|
||||||||||||||||||
| InChIKey |
LAXUUDAEPBMNGI-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