General Information of the Compound
| Compound ID |
CP0125764
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
methyl 2-[[8-[(3R)-3-aminopiperidin-1-yl]-7-but-2-ynyl-3-methyl-2,6-dioxopurin-1-yl]methyl]-6-fluorobenzoate
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C24H27FN6O4
|
||||||||||||||||||
| Molecular Weight |
482.516
|
||||||||||||||||||
| Canonical SMILES |
COC(=O)c1c(F)cccc1Cn1c(=O)n(C)c2nc(N3CCC[C@@H](N)C3)n(CC#CC)c2c1=O
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C24H27FN6O4/c1-4-5-12-30-19-20(27-23(30)29-11-7-9-16(26)14-29)28(2)24(34)31(21(19)32)13-15-8-6-10-17(25)18(15)22(33)35-3/h6,8,10,16H,7,9,11-14,26H2,1-3H3/t16-/m1/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
VPIBPNDQIJRYHF-MRXNPFEDSA-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