General Information of the Compound
| Compound ID |
CP0409421
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
N-[(2S)-1-[4-(4-chloro-1,2,5-thiadiazol-3-yl)piperazin-1-yl]-3-phenylpropan-2-yl]cyclohexanecarboxamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C22H30ClN5OS
|
||||||||||||||||||
| Molecular Weight |
448.036
|
||||||||||||||||||
| Canonical SMILES |
Clc1nsnc1N1CCN(C[C@H](Cc2ccccc2)NC(=O)C2CCCCC2)CC1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C22H30ClN5OS/c23-20-21(26-30-25-20)28-13-11-27(12-14-28)16-19(15-17-7-3-1-4-8-17)24-22(29)18-9-5-2-6-10-18/h1,3-4,7-8,18-19H,2,5-6,9-16H2,(H,24,29)/t19-/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
PTFBEMUNZQVNBQ-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