General Information of the Compound
| Compound ID |
CP0378836
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
1-(3-Acetyl-4-fluoro-phenyl)-3-{(1R,2S)-2-[(S)-3-(4-fluoro-benzyl)-piperidin-1-ylmethyl]-cyclohexyl}-urea
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C28H35F2N3O2
|
||||||||||||||||||
| Molecular Weight |
483.603
|
||||||||||||||||||
| Canonical SMILES |
CC(=O)c1cc(NC(=O)N[C@@H]2CCCC[C@H]2CN2CCC[C@@H](Cc3ccc(F)cc3)C2)ccc1F
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C28H35F2N3O2/c1-19(34)25-16-24(12-13-26(25)30)31-28(35)32-27-7-3-2-6-22(27)18-33-14-4-5-21(17-33)15-20-8-10-23(29)11-9-20/h8-13,16,21-22,27H,2-7,14-15,17-18H2,1H3,(H2,31,32,35)/t21-,22-,27+/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
XXFNYXARXWCONM-BCQCSXDESA-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