General Information of the Compound
| Compound ID |
CP0007182
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
2-[(1S)-1-[(2-amino-7H-purin-6-yl)amino]ethyl]-3-phenylpyrrolo[2,1-f][1,2,4]triazin-4-one
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C19H17N9O
|
||||||||||||||||||
| Molecular Weight |
387.407
|
||||||||||||||||||
| Canonical SMILES |
C[C@H](Nc1nc(N)nc2[nH]cnc12)c1nn2cccc2c(=O)n1-c1ccccc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C19H17N9O/c1-11(23-16-14-15(22-10-21-14)24-19(20)25-16)17-26-27-9-5-8-13(27)18(29)28(17)12-6-3-2-4-7-12/h2-11H,1H3,(H4,20,21,22,23,24,25)/t11-/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
UTRDATLKEFYOHX-NSHDSACASA-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