General Information of the Compound
| Compound ID |
CP0906194
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(R)-4-bromo-N-(4-(5-(3-cyano-4-isopropoxyphenyl)-1,2,4-oxadiazol-3-yl)-2,3-dihydro-1H-inden-1-yl)benzamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C28H23BrN4O3
|
||||||||||||||||||
| Molecular Weight |
543.421
|
||||||||||||||||||
| Canonical SMILES |
CC(C)Oc1ccc(-c2nc(-c3cccc4c3CC[C@H]4NC(=O)c3ccc(Br)cc3)no2)cc1C#N
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C28H23BrN4O3/c1-16(2)35-25-13-8-18(14-19(25)15-30)28-32-26(33-36-28)23-5-3-4-22-21(23)11-12-24(22)31-27(34)17-6-9-20(29)10-7-17/h3-10,13-14,16,24H,11-12H2,1-2H3,(H,31,34)/t24-/m1/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
JYWXAGQKMXPSQP-XMMPIXPASA-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