General Information of the Compound
| Compound ID |
CP0495196
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
4-[[4-[2-methyl-2-[1-(5-propylpyrimidin-2-yl)piperidin-4-yl]-3H-1-benzofuran-5-yl]-3,6-dihydro-2H-pyridin-1-yl]sulfonyl]butan-1-ol
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C30H42N4O4S
|
||||||||||||||||||
| Molecular Weight |
554.757
|
||||||||||||||||||
| Canonical SMILES |
CCCc1cnc(nc1)N1CCC(CC1)C1(C)Cc2cc(ccc2O1)C1=CCN(CC1)S(=O)(=O)CCCCO
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C30H42N4O4S/c1-3-6-23-21-31-29(32-22-23)33-13-11-27(12-14-33)30(2)20-26-19-25(7-8-28(26)38-30)24-9-15-34(16-10-24)39(36,37)18-5-4-17-35/h7-9,19,21-22,27,35H,3-6,10-18,20H2,1-2H3
Show/Hide
|
||||||||||||||||||
| InChIKey |
UGCOTKWHZOAJOP-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