General Information of the Compound
| Compound ID |
CP0034646
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(S)-tetrahydrofuran-3-yl 4-((4-(4-cyano-3,5-dimethylphenyl)piperidin-1-ylsulfonyl)methyl)-4-(hydroxycarbamoyl)piperidine-1-carboxylate
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C26H36N4O7S
|
||||||||||||||||||
| Molecular Weight |
548.662
|
||||||||||||||||||
| Canonical SMILES |
Cc1cc(cc(C)c1C#N)C1CCN(CC1)S(=O)(=O)CC1(CCN(CC1)C(=O)O[C@H]1CCOC1)C(=O)NO
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C26H36N4O7S/c1-18-13-21(14-19(2)23(18)15-27)20-3-8-30(9-4-20)38(34,35)17-26(24(31)28-33)6-10-29(11-7-26)25(32)37-22-5-12-36-16-22/h13-14,20,22,33H,3-12,16-17H2,1-2H3,(H,28,31)/t22-/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
REAAGXUAXYMPTM-QFIPXVFZSA-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