General Information of the Compound
| Compound ID |
CP0446578
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
1-[(1S,2S)-4-chloro-6-fluoro-1-(4-methylsulfonylphenoxy)-2,3-dihydro-1H-inden-2-yl]piperazine
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C20H22ClFN2O3S
|
||||||||||||||||||
| Molecular Weight |
424.925
|
||||||||||||||||||
| Canonical SMILES |
CS(=O)(=O)c1ccc(O[C@@H]2[C@H](Cc3c2cc(F)cc3Cl)N2CCNCC2)cc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C20H22ClFN2O3S/c1-28(25,26)15-4-2-14(3-5-15)27-20-17-10-13(22)11-18(21)16(17)12-19(20)24-8-6-23-7-9-24/h2-5,10-11,19-20,23H,6-9,12H2,1H3/t19-,20-/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
NOCAUGNFTHCBOS-PMACEKPBSA-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