General Information of the Compound
| Compound ID |
CP0091219
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
1-(3,5-diacetylphenyl)-3-[(2S,4S)-4-[(3S)-3-[(4-fluorophenyl)methyl]piperidin-1-yl]-4-hydroxybutan-2-yl]urea
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C27H34FN3O4
|
||||||||||||||||||
| Molecular Weight |
483.584
|
||||||||||||||||||
| Canonical SMILES |
C[C@@H](C[C@H](O)N1CCC[C@@H](Cc2ccc(F)cc2)C1)NC(=O)Nc1cc(cc(c1)C(C)=O)C(C)=O
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C27H34FN3O4/c1-17(29-27(35)30-25-14-22(18(2)32)13-23(15-25)19(3)33)11-26(34)31-10-4-5-21(16-31)12-20-6-8-24(28)9-7-20/h6-9,13-15,17,21,26,34H,4-5,10-12,16H2,1-3H3,(H2,29,30,35)/t17-,21-,26-/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
BIPWHXLJDZRBGR-CWVVSJDFSA-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