General Information of the Compound
| Compound ID |
CP0294093
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
1-((3S,4S)-4-(((S)-3-(4-fluorobenzyl)piperidin-1-yl)methyl)-1-methylpiperidin-3-yl)-3-(5-acetyl-4-methylthiazol-2-yl)urea
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C26H36FN5O2S
|
||||||||||||||||||
| Molecular Weight |
501.672
|
||||||||||||||||||
| Canonical SMILES |
CN1CC[C@@H](CN2CCC[C@@H](Cc3ccc(F)cc3)C2)[C@@H](C1)NC(=O)Nc1nc(C)c(s1)C(C)=O
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C26H36FN5O2S/c1-17-24(18(2)33)35-26(28-17)30-25(34)29-23-16-31(3)12-10-21(23)15-32-11-4-5-20(14-32)13-19-6-8-22(27)9-7-19/h6-9,20-21,23H,4-5,10-16H2,1-3H3,(H2,28,29,30,34)/t20-,21-,23+/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
HAOJBCWTKNVFJG-QNWVGRARSA-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