General Information of the Compound
| Compound ID |
CP0042895
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| Compound Name |
N-[4-(1,1,3,3-tetraoxo-1lambda6,3lambda6,2-benzodithiazol-2-yl)phenyl]pyrimidine-4-carboxamide
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| Structure |
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| Formula |
C17H12N4O5S2
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| Molecular Weight |
416.44
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| Canonical SMILES |
O=C(Nc1ccc(cc1)N1S(=O)(=O)c2ccccc2S1(=O)=O)c1ccncn1
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| InChI |
InChI=1S/C17H12N4O5S2/c22-17(14-9-10-18-11-19-14)20-12-5-7-13(8-6-12)21-27(23,24)15-3-1-2-4-16(15)28(21,25)26/h1-11H,(H,20,22)
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| InChIKey |
UZVVAWXRKCKWPU-UHFFFAOYSA-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