General Information of the Compound
| Compound ID |
CP0298735
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(S)-methyl 3-((3-chloro-4-cyanophenyl)(5-fluoro-2-methylbenzyl)amino)pyrrolidine-1-carboxylate
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C21H21ClFN3O2
|
||||||||||||||||||
| Molecular Weight |
401.869
|
||||||||||||||||||
| Canonical SMILES |
COC(=O)N1CC[C@@H](C1)N(Cc1cc(F)ccc1C)c1ccc(C#N)c(Cl)c1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C21H21ClFN3O2/c1-14-3-5-17(23)9-16(14)12-26(18-6-4-15(11-24)20(22)10-18)19-7-8-25(13-19)21(27)28-2/h3-6,9-10,19H,7-8,12-13H2,1-2H3/t19-/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
UOPVVQWLFUUMSP-IBGZPJMESA-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