General Information of the Compound
| Compound ID |
CP0955066
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(R)-N-(4-(5-(3-cyano-4-isopropoxyphenyl)-1,2,4-oxadiazol-3-yl)-2,3-dihydro-1H-inden-1-yl)-2-(pyrrolidin-1-yl)acetamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C27H29N5O3
|
||||||||||||||||||
| Molecular Weight |
471.561
|
||||||||||||||||||
| Canonical SMILES |
CC(C)Oc1ccc(-c2nc(-c3cccc4c3CC[C@H]4NC(=O)CN3CCCC3)no2)cc1C#N
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C27H29N5O3/c1-17(2)34-24-11-8-18(14-19(24)15-28)27-30-26(31-35-27)22-7-5-6-21-20(22)9-10-23(21)29-25(33)16-32-12-3-4-13-32/h5-8,11,14,17,23H,3-4,9-10,12-13,16H2,1-2H3,(H,29,33)/t23-/m1/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
XKRPYYFQBRCVBF-HSZRJFAPSA-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