General Information of the Compound
| Compound ID |
CP0025300
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| Compound Name |
4-amino-6-[[(1S)-1-(8-chloro-1,1-dioxo-2-phenyl-1lambda6,2,4-benzothiadiazin-3-yl)ethyl]amino]pyrimidine-5-carbonitrile
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| Structure |
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| Formula |
C20H16ClN7O2S
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| Molecular Weight |
453.915
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| Canonical SMILES |
C[C@H](Nc1ncnc(N)c1C#N)C1=Nc2cccc(Cl)c2S(=O)(=O)N1c1ccccc1
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| InChI |
InChI=1S/C20H16ClN7O2S/c1-12(26-19-14(10-22)18(23)24-11-25-19)20-27-16-9-5-8-15(21)17(16)31(29,30)28(20)13-6-3-2-4-7-13/h2-9,11-12H,1H3,(H3,23,24,25,26)/t12-/m0/s1
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| InChIKey |
QMJILXLIXCRYEW-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