General Information of the Compound
| Compound ID |
CP0575831
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| Compound Name |
3-[[2-[(2S)-2-(5-fluoro-1-benzofuran-2-yl)-2-hydroxyethyl]tetrazol-5-yl]methyl]-4-oxothieno[2,3-d]pyrimidine-5-carboxamide
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| Formula |
C19H14FN7O4S
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| Molecular Weight |
455.431
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| Canonical SMILES |
NC(=O)c1csc2ncn(Cc3nnn(C[C@H](O)c4cc5cc(F)ccc5o4)n3)c(=O)c12
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| InChI |
InChI=1S/C19H14FN7O4S/c20-10-1-2-13-9(3-10)4-14(31-13)12(28)5-27-24-15(23-25-27)6-26-8-22-18-16(19(26)30)11(7-32-18)17(21)29/h1-4,7-8,12,28H,5-6H2,(H2,21,29)/t12-/m0/s1
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| InChIKey |
MJZFLVZBZCNKDO-LBPRGKRZSA-N
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| 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
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Map of Molecular Bioactivity Related to the Compound
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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 |
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Table of Molecular Bioactivities Related to the Compound