General Information of the Compound
| Compound ID |
CP0906176
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(S)-2-(azetidin-1-yl)-N-(4-(5-(3-cyano-4-isopropoxyphenyl)-1,2,4-oxadiazol-3-yl)-2,3-dihydro-1H-inden-1-yl)ethanesulfonamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C26H29N5O4S
|
||||||||||||||||||
| Molecular Weight |
507.616
|
||||||||||||||||||
| Canonical SMILES |
CC(C)Oc1ccc(-c2nc(-c3cccc4c3CC[C@@H]4NS(=O)(=O)CCN3CCC3)no2)cc1C#N
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C26H29N5O4S/c1-17(2)34-24-10-7-18(15-19(24)16-27)26-28-25(29-35-26)22-6-3-5-21-20(22)8-9-23(21)30-36(32,33)14-13-31-11-4-12-31/h3,5-7,10,15,17,23,30H,4,8-9,11-14H2,1-2H3/t23-/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
BSDSIPGCIDSPBV-QHCPKHFHSA-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