General Information of the Compound
| Compound ID |
CP0276162
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
1-[(2R)-4-[(3S)-3-[(4-fluorophenyl)methyl]piperidin-1-yl]-4-oxobutan-2-yl]-3-[3-(1-methyltetrazol-5-yl)phenyl]urea
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C25H30FN7O2
|
||||||||||||||||||
| Molecular Weight |
479.56
|
||||||||||||||||||
| Canonical SMILES |
C[C@H](CC(=O)N1CCC[C@@H](Cc2ccc(F)cc2)C1)NC(=O)Nc1cccc(c1)-c1nnnn1C
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C25H30FN7O2/c1-17(27-25(35)28-22-7-3-6-20(15-22)24-29-30-31-32(24)2)13-23(34)33-12-4-5-19(16-33)14-18-8-10-21(26)11-9-18/h3,6-11,15,17,19H,4-5,12-14,16H2,1-2H3,(H2,27,28,35)/t17-,19+/m1/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
UQBFRDAXMOLPES-MJGOQNOKSA-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