General Information of the Compound
| Compound ID |
CP0258761
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| Compound Name |
2-((5-chlorobenzo[d][1,3]dioxol-4-yl)(2-(3-(methylsulfonyl)phenylamino)pyrimidin-4-yl)amino)acetonitrile
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| Structure |
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| Formula |
C20H16ClN5O4S
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| Molecular Weight |
457.899
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| Canonical SMILES |
CS(=O)(=O)c1cccc(Nc2nccc(n2)N(CC#N)c2c3OCOc3ccc2Cl)c1
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| InChI |
InChI=1S/C20H16ClN5O4S/c1-31(27,28)14-4-2-3-13(11-14)24-20-23-9-7-17(25-20)26(10-8-22)18-15(21)5-6-16-19(18)30-12-29-16/h2-7,9,11H,10,12H2,1H3,(H,23,24,25)
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| InChIKey |
MGFILPDZSBIARL-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