General Information of the Compound
| Compound ID |
CP0501983
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
3-(4-(3-fluorophenyl)piperazin-1-yl)-N-((4-phenyl-2-propyloxazol-5-yl)methyl)propan-1-amine
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C26H33FN4O
|
||||||||||||||||||
| Molecular Weight |
436.575
|
||||||||||||||||||
| Canonical SMILES |
CCCc1nc(c(CNCCCN2CCN(CC2)c2cccc(F)c2)o1)-c1ccccc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C26H33FN4O/c1-2-8-25-29-26(21-9-4-3-5-10-21)24(32-25)20-28-13-7-14-30-15-17-31(18-16-30)23-12-6-11-22(27)19-23/h3-6,9-12,19,28H,2,7-8,13-18,20H2,1H3
Show/Hide
|
||||||||||||||||||
| InChIKey |
NKNHGAJLDLPBEW-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