General Information of the Compound
| Compound ID |
CP0410113
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
4-[[4-[4,7-difluoro-2-[1-(5-propylpyrimidin-2-yl)piperidin-4-yl]-2,3-dihydro-1-benzofuran-5-yl]-3,6-dihydro-2H-pyridin-1-yl]sulfonyl]-2-methylbutan-2-ol
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C30H40F2N4O4S
|
||||||||||||||||||
| Molecular Weight |
590.737
|
||||||||||||||||||
| Canonical SMILES |
CCCc1cnc(nc1)N1CCC(CC1)C1Cc2c(O1)c(F)cc(C1=CCN(CC1)S(=O)(=O)CCC(C)(C)O)c2F
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C30H40F2N4O4S/c1-4-5-20-18-33-29(34-19-20)35-11-6-22(7-12-35)26-17-24-27(32)23(16-25(31)28(24)40-26)21-8-13-36(14-9-21)41(38,39)15-10-30(2,3)37/h8,16,18-19,22,26,37H,4-7,9-15,17H2,1-3H3
Show/Hide
|
||||||||||||||||||
| InChIKey |
RLNJMHMBIJOATD-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