General Information of the Compound
| Compound ID |
CP0557794
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
N-[3-fluoro-4-[(2R)-2-[(1S,2S,6R,8S)-2,9,9-trimethyl-3,5-dioxa-4-boratricyclo[6.1.1.02,6]decan-4-yl]pyrrolidine-1-carbonyl]phenyl]acetamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C23H30BFN2O4
|
||||||||||||||||||
| Molecular Weight |
428.313
|
||||||||||||||||||
| Canonical SMILES |
CC(=O)Nc1ccc(C(=O)N2CCC[C@H]2B2O[C@@H]3C[C@@H]4C[C@@H](C4(C)C)[C@]3(C)O2)c(F)c1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C23H30BFN2O4/c1-13(28)26-15-7-8-16(17(25)12-15)21(29)27-9-5-6-20(27)24-30-19-11-14-10-18(22(14,2)3)23(19,4)31-24/h7-8,12,14,18-20H,5-6,9-11H2,1-4H3,(H,26,28)/t14-,18-,19+,20-,23-/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
VRYJQJFTHFUANP-HVNOCCFSSA-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