General Information of the Compound
| Compound ID |
CP0519662
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| Compound Name |
US10167273, Example 28
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| Structure |
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| Formula |
C19H25Cl2N3O3S
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| Molecular Weight |
446.4
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| Canonical SMILES |
CCc1nn(C)c(CC)c1S(=O)(=O)N1CCC(CC1)Oc1ccc(Cl)cc1Cl
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| InChI |
InChI=1S/C19H25Cl2N3O3S/c1-4-16-19(17(5-2)23(3)22-16)28(25,26)24-10-8-14(9-11-24)27-18-7-6-13(20)12-15(18)21/h6-7,12,14H,4-5,8-11H2,1-3H3
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| InChIKey |
YJHPFQHKOBNEJT-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