General Information of the Compound
| Compound ID |
CP0197707
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| Compound Name |
N-[3-[[4-[(5-chloro-1,3-benzodioxol-4-yl)amino]pyrimidin-2-yl]amino]-5-methylsulfonylphenyl]methanesulfonamide
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| Structure |
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| Formula |
C19H18ClN5O6S2
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| Molecular Weight |
511.969
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| Canonical SMILES |
CS(=O)(=O)Nc1cc(Nc2nccc(Nc3c4OCOc4ccc3Cl)n2)cc(c1)S(C)(=O)=O
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| InChI |
InChI=1S/C19H18ClN5O6S2/c1-32(26,27)13-8-11(7-12(9-13)25-33(2,28)29)22-19-21-6-5-16(24-19)23-17-14(20)3-4-15-18(17)31-10-30-15/h3-9,25H,10H2,1-2H3,(H2,21,22,23,24)
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| InChIKey |
HGNAWYKFKAMRLN-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