General Information of the Compound
| Compound ID |
CP0014328
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(3S)-3-(cyclopropylmethyl)-5-[9-ethyl-8-(2-methylpyrimidin-5-yl)purin-6-yl]-3-methyl-1H-indol-2-one
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C25H25N7O
|
||||||||||||||||||
| Molecular Weight |
439.523
|
||||||||||||||||||
| Canonical SMILES |
CCn1c(nc2c(ncnc12)-c1ccc2NC(=O)[C@@](C)(CC3CC3)c2c1)-c1cnc(C)nc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C25H25N7O/c1-4-32-22(17-11-26-14(2)27-12-17)31-21-20(28-13-29-23(21)32)16-7-8-19-18(9-16)25(3,24(33)30-19)10-15-5-6-15/h7-9,11-13,15H,4-6,10H2,1-3H3,(H,30,33)/t25-/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
MVOPNSVHHNOXSF-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 | |||||||||||||||||||
| 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