General Information of the Compound
| Compound ID |
CP0537355
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| Compound Name |
US10167273, Example 52
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| Structure |
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| Formula |
C17H22Cl2N4O2S
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| Molecular Weight |
417.362
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| Canonical SMILES |
Cc1nn(C)c(C)c1S(=O)(=O)N1CCC(CC1)Nc1ccc(Cl)c(Cl)c1
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| InChI |
InChI=1S/C17H22Cl2N4O2S/c1-11-17(12(2)22(3)21-11)26(24,25)23-8-6-13(7-9-23)20-14-4-5-15(18)16(19)10-14/h4-5,10,13,20H,6-9H2,1-3H3
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| InChIKey |
FCJWJQQWJZDVHM-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