General Information of the Compound
| Compound ID |
CP0014384
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(3S)-1'-(cyclopropanecarbonyl)-5-[9-ethyl-8-(2-methylpyrimidin-5-yl)purin-6-yl]spiro[1H-indole-3,2'-pyrrolidine]-2-one
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C27H26N8O2
|
||||||||||||||||||
| Molecular Weight |
494.559
|
||||||||||||||||||
| Canonical SMILES |
CCn1c(nc2c(ncnc12)-c1ccc2NC(=O)[C@]3(CCCN3C(=O)C3CC3)c2c1)-c1cnc(C)nc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C27H26N8O2/c1-3-34-23(18-12-28-15(2)29-13-18)33-22-21(30-14-31-24(22)34)17-7-8-20-19(11-17)27(26(37)32-20)9-4-10-35(27)25(36)16-5-6-16/h7-8,11-14,16H,3-6,9-10H2,1-2H3,(H,32,37)/t27-/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
BIMJIXDSAJMYAI-MHZLTWQESA-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