General Information of the Compound
| Compound ID |
CP0566341
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| Compound Name |
US10167273, Example 54
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| Structure |
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| Formula |
C18H24Cl2N4O2S
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| Molecular Weight |
431.389
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| Canonical SMILES |
CN(C1CCN(CC1)S(=O)(=O)c1c(C)nn(C)c1C)c1ccc(Cl)c(Cl)c1
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| InChI |
InChI=1S/C18H24Cl2N4O2S/c1-12-18(13(2)23(4)21-12)27(25,26)24-9-7-14(8-10-24)22(3)15-5-6-16(19)17(20)11-15/h5-6,11,14H,7-10H2,1-4H3
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| InChIKey |
BIWARYDJUHLCPS-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