General Information of the Compound
| Compound ID |
CP0551738
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
1-[3-Ethyl-5-(1-methyl-1H-tetrazol-5-yl)-phenyl]-3-{(R)-1-[2-(4-fluoro-phenyl)-ethyl]-piperidin-3-yl}-urea
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C24H30FN7O
|
||||||||||||||||||
| Molecular Weight |
451.55
|
||||||||||||||||||
| Canonical SMILES |
CCc1cc(NC(=O)N[C@@H]2CCCN(CCc3ccc(F)cc3)C2)cc(c1)-c1nnnn1C
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C24H30FN7O/c1-3-17-13-19(23-28-29-30-31(23)2)15-22(14-17)27-24(33)26-21-5-4-11-32(16-21)12-10-18-6-8-20(25)9-7-18/h6-9,13-15,21H,3-5,10-12,16H2,1-2H3,(H2,26,27,33)/t21-/m1/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
MZJUTILHBTYUKN-OAQYLSRUSA-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