General Information of the Compound
| Compound ID |
CP0579680
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
3-[[2-[(2S)-2-(6-fluoro-1-benzothiophen-2-yl)-2-hydroxyethyl]tetrazol-5-yl]methyl]-4-oxothieno[2,3-d]pyrimidine-5-carboxamide
Show/Hide
|
||||||||||||||||||
| Formula |
C19H14FN7O3S2
|
||||||||||||||||||
| Molecular Weight |
471.499
|
||||||||||||||||||
| Canonical SMILES |
NC(=O)c1csc2ncn(Cc3nnn(C[C@H](O)c4cc5ccc(F)cc5s4)n3)c(=O)c12
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C19H14FN7O3S2/c20-10-2-1-9-3-14(32-13(9)4-10)12(28)5-27-24-15(23-25-27)6-26-8-22-18-16(19(26)30)11(7-31-18)17(21)29/h1-4,7-8,12,28H,5-6H2,(H2,21,29)/t12-/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
IPTVTUDAXHBJAB-LBPRGKRZSA-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