General Information of the Compound
| Compound ID |
CP0947432
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(2S,5R)-5-Ethyl-4-methyl-piperazine-2-carboxylic acid [(R)-2-(4-tert-butylcarbamoyl-4-cyclohexyl-piperidin-1-yl)-1-(4-fluoro-benzyl)-2-oxo-ethyl]-amide dihydrochloride
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C33H54Cl2FN5O3
|
||||||||||||||||||
| Molecular Weight |
658.731
|
||||||||||||||||||
| Canonical SMILES |
CC[C@@H]1CN[C@H](C(=O)N[C@H](Cc2ccc(F)cc2)C(=O)N2CCC(C(=O)NC(C)(C)C)(C3CCCCC3)CC2)CN1C.Cl.Cl
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C33H52FN5O3.2ClH/c1-6-26-21-35-28(22-38(26)5)29(40)36-27(20-23-12-14-25(34)15-13-23)30(41)39-18-16-33(17-19-39,24-10-8-7-9-11-24)31(42)37-32(2,3)4;;/h12-15,24,26-28,35H,6-11,16-22H2,1-5H3,(H,36,40)(H,37,42);2*1H/t26-,27-,28+;;/m1../s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
JGGCXGAPTAQBEJ-PWSSFSMVSA-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