General Information of the Compound
| Compound ID |
CP0555838
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(2S)-1-[(2-amino-1,3-benzothiazol-4-yl)oxy]-3-(5-chlorospiro[3H-1-benzofuran-2,4'-piperidine]-1'-yl)propan-2-ol
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C22H24ClN3O3S
|
||||||||||||||||||
| Molecular Weight |
445.972
|
||||||||||||||||||
| Canonical SMILES |
Nc1nc2c(OC[C@@H](O)CN3CCC4(Cc5cc(Cl)ccc5O4)CC3)cccc2s1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C22H24ClN3O3S/c23-15-4-5-17-14(10-15)11-22(29-17)6-8-26(9-7-22)12-16(27)13-28-18-2-1-3-19-20(18)25-21(24)30-19/h1-5,10,16,27H,6-9,11-13H2,(H2,24,25)/t16-/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
WZHDJJWUENEWGM-INIZCTEOSA-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