General Information of the Compound
| Compound ID |
CP0579414
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
3-[[2-[(2S)-2-(1-benzothiophen-2-yl)-2-hydroxyethyl]tetrazol-5-yl]methyl]-5-methyl-4-oxofuro[2,3-d]pyrimidine-6-carboxamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C20H17N7O4S
|
||||||||||||||||||
| Molecular Weight |
451.468
|
||||||||||||||||||
| Canonical SMILES |
Cc1c(oc2ncn(Cc3nnn(C[C@H](O)c4cc5ccccc5s4)n3)c(=O)c12)C(N)=O
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C20H17N7O4S/c1-10-16-19(31-17(10)18(21)29)22-9-26(20(16)30)8-15-23-25-27(24-15)7-12(28)14-6-11-4-2-3-5-13(11)32-14/h2-6,9,12,28H,7-8H2,1H3,(H2,21,29)/t12-/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
FKCJHLWKMWRKBM-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 | |||||||||||||||||||
| PubChem 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