General Information of the Compound
| Compound ID |
CP0481214
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| Compound Name |
US10167273, Example 25
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| Structure |
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| Formula |
C16H18Cl3N3O3S
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| Molecular Weight |
438.764
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| Canonical SMILES |
Cc1nn(C)c(Cl)c1S(=O)(=O)N1CCC(CC1)Oc1ccc(Cl)cc1Cl
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| InChI |
InChI=1S/C16H18Cl3N3O3S/c1-10-15(16(19)21(2)20-10)26(23,24)22-7-5-12(6-8-22)25-14-4-3-11(17)9-13(14)18/h3-4,9,12H,5-8H2,1-2H3
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| InChIKey |
URAXCWFVAVIVON-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