General Information of the Compound
| Compound ID |
CP0103105
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
2-methyl-8-[3-[[4-methyl-5-(2-methylquinolin-5-yl)-1,2,4-triazol-3-yl]sulfanyl]propyl]-6,7,9,10-tetrahydro-[1,3]oxazolo[5,4-i][3]benzazepine
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C28H30N6OS
|
||||||||||||||||||
| Molecular Weight |
498.656
|
||||||||||||||||||
| Canonical SMILES |
Cc1nc2c3CCN(CCCSc4nnc(-c5cccc6nc(C)ccc56)n4C)CCc3ccc2o1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C28H30N6OS/c1-18-8-10-22-23(6-4-7-24(22)29-18)27-31-32-28(33(27)3)36-17-5-14-34-15-12-20-9-11-25-26(21(20)13-16-34)30-19(2)35-25/h4,6-11H,5,12-17H2,1-3H3
Show/Hide
|
||||||||||||||||||
| InChIKey |
HTADTAUIMFMPFI-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