General Information of the Compound
| Compound ID |
CP0185535
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
1-((3S,4R)-4-(((S)-3-(4-fluorobenzyl)piperidin-1-yl)methyl)pyrrolidin-3-yl)-3-(5-acetyl-4-methylthiazol-2-yl)urea
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C24H32FN5O2S
|
||||||||||||||||||
| Molecular Weight |
473.618
|
||||||||||||||||||
| Canonical SMILES |
CC(=O)c1sc(NC(=O)N[C@@H]2CNC[C@@H]2CN2CCC[C@@H](Cc3ccc(F)cc3)C2)nc1C
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C24H32FN5O2S/c1-15-22(16(2)31)33-24(27-15)29-23(32)28-21-12-26-11-19(21)14-30-9-3-4-18(13-30)10-17-5-7-20(25)8-6-17/h5-8,18-19,21,26H,3-4,9-14H2,1-2H3,(H2,27,28,29,32)/t18-,19+,21+/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
XLRNYRPKEKOVGJ-QKNQBKEWSA-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