General Information of the Compound
| Compound ID |
CP0537739
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
2-[1-[6-[1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-4-yl]oxypyrimidin-4-yl]-2,3-dihydroindol-5-yl]cyclohexan-1-one
Show/Hide
|
||||||||||||||||||
| Formula |
C28H34N6O3
|
||||||||||||||||||
| Molecular Weight |
502.619
|
||||||||||||||||||
| Canonical SMILES |
CC(C)c1noc(n1)N1CCC(CC1)Oc1cc(ncn1)N1CCc2cc(ccc12)C1CCCCC1=O
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C28H34N6O3/c1-18(2)27-31-28(37-32-27)33-12-10-21(11-13-33)36-26-16-25(29-17-30-26)34-14-9-20-15-19(7-8-23(20)34)22-5-3-4-6-24(22)35/h7-8,15-18,21-22H,3-6,9-14H2,1-2H3
Show/Hide
|
||||||||||||||||||
| InChIKey |
PQKGSURDUWLIQB-UHFFFAOYSA-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 | |||||||||||||||||||
| 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