General Information of the Compound
| Compound ID |
CP0367562
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
1-(4-tert-butylphenylsulfonyl)-4-methoxy-4-methylazepane
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C18H29NO3S
|
||||||||||||||||||
| Molecular Weight |
339.501
|
||||||||||||||||||
| Canonical SMILES |
COC1(C)CCCN(CC1)S(=O)(=O)c1ccc(cc1)C(C)(C)C
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C18H29NO3S/c1-17(2,3)15-7-9-16(10-8-15)23(20,21)19-13-6-11-18(4,22-5)12-14-19/h7-10H,6,11-14H2,1-5H3
Show/Hide
|
||||||||||||||||||
| InChIKey |
VYFXHSXKRHXJND-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