General Information of the Compound
| Compound ID |
CP0464197
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
1-((3S,4S)-4-(((S)-3-(4-fluorobenzyl)piperidin-1-yl)methyl)-1-isobutyrylpiperidin-3-yl)-3-(5-acetyl-4-methylthiazol-2-yl)urea
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C29H40FN5O3S
|
||||||||||||||||||
| Molecular Weight |
557.736
|
||||||||||||||||||
| Canonical SMILES |
CC(C)C(=O)N1CC[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/C29H40FN5O3S/c1-18(2)27(37)35-13-11-23(16-34-12-5-6-22(15-34)14-21-7-9-24(30)10-8-21)25(17-35)32-28(38)33-29-31-19(3)26(39-29)20(4)36/h7-10,18,22-23,25H,5-6,11-17H2,1-4H3,(H2,31,32,33,38)/t22-,23-,25+/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
WYEYLXCZEJWTGK-SONWIMMPSA-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