General Information of the Compound
| Compound ID |
CP0546147
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| Compound Name |
3-[[2-[(2S)-2-(4,5-dichlorothiophen-2-yl)-2-hydroxyethyl]tetrazol-5-yl]methyl]-4-oxothieno[2,3-d]pyrimidine-5-carboxamide
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| Formula |
C15H11Cl2N7O3S2
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| Molecular Weight |
472.339
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| Canonical SMILES |
NC(=O)c1csc2ncn(Cc3nnn(C[C@H](O)c4cc(Cl)c(Cl)s4)n3)c(=O)c12
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| InChI |
InChI=1S/C15H11Cl2N7O3S2/c16-7-1-9(29-12(7)17)8(25)2-24-21-10(20-22-24)3-23-5-19-14-11(15(23)27)6(4-28-14)13(18)26/h1,4-5,8,25H,2-3H2,(H2,18,26)/t8-/m0/s1
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| InChIKey |
PCRVYTLDPBCCDQ-QMMMGPOBSA-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