General Information of the Compound
| Compound ID |
CP0500570
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
1-(3,5-Diacetyl-phenyl)-3-{(1R,2S)-2-[(S)-3-(4-fluoro-benzyl)-piperidin-1-ylmethyl]-cyclohexyl}-urea
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C30H38FN3O3
|
||||||||||||||||||
| Molecular Weight |
507.65
|
||||||||||||||||||
| Canonical SMILES |
CC(=O)c1cc(NC(=O)N[C@@H]2CCCC[C@H]2CN2CCC[C@@H](Cc3ccc(F)cc3)C2)cc(c1)C(C)=O
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C30H38FN3O3/c1-20(35)25-15-26(21(2)36)17-28(16-25)32-30(37)33-29-8-4-3-7-24(29)19-34-13-5-6-23(18-34)14-22-9-11-27(31)12-10-22/h9-12,15-17,23-24,29H,3-8,13-14,18-19H2,1-2H3,(H2,32,33,37)/t23-,24-,29+/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
XNECWHFEDUTGHE-NDIVSWGXSA-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