General Information of the Compound
| Compound ID |
CP0475709
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| Compound Name |
US10167273, Example 65
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| Structure |
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| Formula |
C18H20Cl2N4O2S
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| Molecular Weight |
427.357
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| Canonical SMILES |
Cc1n[nH]c(C)c1S(=O)(=O)N1CCC(Cc2ccc(Cl)cc2Cl)(CC1)C#N
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| InChI |
InChI=1S/C18H20Cl2N4O2S/c1-12-17(13(2)23-22-12)27(25,26)24-7-5-18(11-21,6-8-24)10-14-3-4-15(19)9-16(14)20/h3-4,9H,5-8,10H2,1-2H3,(H,22,23)
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| InChIKey |
CQPUJVNWYRAUIJ-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