General Information of the Compound
| Compound ID |
CP0566336
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| Compound Name |
US10167273, Example 53
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| Structure |
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| Formula |
C18H25ClN4O2S
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| Molecular Weight |
396.944
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| Canonical SMILES |
CN(C1CCN(CC1)S(=O)(=O)c1c(C)nn(C)c1C)c1ccc(Cl)cc1
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| InChI |
InChI=1S/C18H25ClN4O2S/c1-13-18(14(2)22(4)20-13)26(24,25)23-11-9-17(10-12-23)21(3)16-7-5-15(19)6-8-16/h5-8,17H,9-12H2,1-4H3
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| InChIKey |
KBAAZVHDLADJSE-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