General Information of the Compound
| Compound ID |
CP0012413
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(3S)-3-(cyclopropylmethyl)-5-[8-(1-ethyl-5-methylpyrazol-4-yl)-9-methylpurin-6-yl]-3-methyl-1H-indol-2-one
Show/Hide
|
||||||||||||||||||
| Formula |
C25H27N7O
|
||||||||||||||||||
| Molecular Weight |
441.539
|
||||||||||||||||||
| Canonical SMILES |
CCn1ncc(c1C)-c1nc2c(ncnc2n1C)-c1ccc2NC(=O)[C@@](C)(CC3CC3)c2c1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C25H27N7O/c1-5-32-14(2)17(12-28-32)22-30-21-20(26-13-27-23(21)31(22)4)16-8-9-19-18(10-16)25(3,24(33)29-19)11-15-6-7-15/h8-10,12-13,15H,5-7,11H2,1-4H3,(H,29,33)/t25-/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
VXSDLKJLZQRLMC-VWLOTQADSA-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