General Information of the Compound
| Compound ID |
CP0501909
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(3S,4S)-tert-butyl 3-(((S)-3-(4-fluorobenzyl)piperidin-1-yl)methyl)-4-(3-(5-acetyl-4-methylthiazol-2-yl)ureido)pyrrolidine-1-carboxylate
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C29H40FN5O4S
|
||||||||||||||||||
| Molecular Weight |
573.735
|
||||||||||||||||||
| Canonical SMILES |
CC(=O)c1sc(NC(=O)N[C@@H]2CN(C[C@@H]2CN2CCC[C@@H](Cc3ccc(F)cc3)C2)C(=O)OC(C)(C)C)nc1C
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C29H40FN5O4S/c1-18-25(19(2)36)40-27(31-18)33-26(37)32-24-17-35(28(38)39-29(3,4)5)16-22(24)15-34-12-6-7-21(14-34)13-20-8-10-23(30)11-9-20/h8-11,21-22,24H,6-7,12-17H2,1-5H3,(H2,31,32,33,37)/t21-,22-,24+/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
HUEIIQRYVMJFKL-WPFOTENUSA-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