General Information of the Compound
| Compound ID |
CP0547209
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| Compound Name |
3-[[2-[(2S)-2-(5-chloro-1-benzofuran-2-yl)-2-hydroxyethyl]tetrazol-5-yl]methyl]-5-methyl-4-oxofuro[2,3-d]pyrimidine-6-carboxamide
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| Structure |
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| Formula |
C20H16ClN7O5
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| Molecular Weight |
469.845
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| Canonical SMILES |
Cc1c(oc2ncn(Cc3nnn(C[C@H](O)c4cc5cc(Cl)ccc5o4)n3)c(=O)c12)C(N)=O
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| InChI |
InChI=1S/C20H16ClN7O5/c1-9-16-19(33-17(9)18(22)30)23-8-27(20(16)31)7-15-24-26-28(25-15)6-12(29)14-5-10-4-11(21)2-3-13(10)32-14/h2-5,8,12,29H,6-7H2,1H3,(H2,22,30)/t12-/m0/s1
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| InChIKey |
QNZGMOZJDBNRKF-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