General Information of the Compound
| Compound ID |
CP0864437
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(R)-N-(4-(5-(3-cyano-4-isopropoxyphenyl)-1,2,4-oxadiazol-3-yl)-2,3-dihydro-1H-inden-1-yl)-2-(2-hydroxyethylamino)ethanesulfonamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C25H29N5O5S
|
||||||||||||||||||
| Molecular Weight |
511.604
|
||||||||||||||||||
| Canonical SMILES |
CC(C)Oc1ccc(-c2nc(-c3cccc4c3CC[C@H]4NS(=O)(=O)CCNCCO)no2)cc1C#N
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C25H29N5O5S/c1-16(2)34-23-9-6-17(14-18(23)15-26)25-28-24(29-35-25)21-5-3-4-20-19(21)7-8-22(20)30-36(32,33)13-11-27-10-12-31/h3-6,9,14,16,22,27,30-31H,7-8,10-13H2,1-2H3/t22-/m1/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
VDGXDGDZGICRMF-JOCHJYFZSA-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