General Information of the Compound
| Compound ID |
CP0401513
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
2-[4-[4-fluoro-5-(1-propylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)-2,3-dihydro-1-benzofuran-2-yl]piperidin-1-yl]-5-propylpyrimidine
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C28H37FN4O3S
|
||||||||||||||||||
| Molecular Weight |
528.694
|
||||||||||||||||||
| Canonical SMILES |
CCCc1cnc(nc1)N1CCC(CC1)C1Cc2c(O1)ccc(C1=CCN(CC1)S(=O)(=O)CCC)c2F
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C28H37FN4O3S/c1-3-5-20-18-30-28(31-19-20)32-12-8-22(9-13-32)26-17-24-25(36-26)7-6-23(27(24)29)21-10-14-33(15-11-21)37(34,35)16-4-2/h6-7,10,18-19,22,26H,3-5,8-9,11-17H2,1-2H3
Show/Hide
|
||||||||||||||||||
| InChIKey |
PTPNJFIDUNZFMA-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