General Information of the Compound
| Compound ID |
CP0545477
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| Compound Name |
3-[[2-[(2S)-2-(6-fluoro-1-benzothiophen-2-yl)-2-hydroxyethyl]tetrazol-5-yl]methyl]-6-methyl-4-oxofuro[2,3-d]pyrimidine-5-carboxamide
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| Structure |
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| Formula |
C20H16FN7O4S
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| Molecular Weight |
469.458
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| Canonical SMILES |
Cc1oc2ncn(Cc3nnn(C[C@H](O)c4cc5ccc(F)cc5s4)n3)c(=O)c2c1C(N)=O
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| InChI |
InChI=1S/C20H16FN7O4S/c1-9-16(18(22)30)17-19(32-9)23-8-27(20(17)31)7-15-24-26-28(25-15)6-12(29)14-4-10-2-3-11(21)5-13(10)33-14/h2-5,8,12,29H,6-7H2,1H3,(H2,22,30)/t12-/m0/s1
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| InChIKey |
WHEWGFMWWBERPN-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