General Information of the Compound
| Compound ID |
CP0947297
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(R)-methyl(4-(5-(3-cyano-4-isopropoxyphenyl)-l,2,4-oxadiazol-3-y1)-2,3-dihydro-1H-inden-1-yl)carbamate
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C23H22N4O4
|
||||||||||||||||||
| Molecular Weight |
418.453
|
||||||||||||||||||
| Canonical SMILES |
COC(=O)N[C@@H]1CCc2c(-c3noc(-c4ccc(OC(C)C)c(C#N)c4)n3)cccc21
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C23H22N4O4/c1-13(2)30-20-10-7-14(11-15(20)12-24)22-26-21(27-31-22)18-6-4-5-17-16(18)8-9-19(17)25-23(28)29-3/h4-7,10-11,13,19H,8-9H2,1-3H3,(H,25,28)/t19-/m1/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
KEQYTSCUNYUNLP-LJQANCHMSA-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