General Information of the Compound
| Compound ID |
CP0475708
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| Compound Name |
US10167273, Example 43
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| Structure |
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| Formula |
C18H24FN3O4S
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| Molecular Weight |
397.472
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| Canonical SMILES |
COc1ccc(OC2CCN(CC2)S(=O)(=O)c2c(C)nn(C)c2C)cc1F
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| InChI |
InChI=1S/C18H24FN3O4S/c1-12-18(13(2)21(3)20-12)27(23,24)22-9-7-14(8-10-22)26-15-5-6-17(25-4)16(19)11-15/h5-6,11,14H,7-10H2,1-4H3
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| InChIKey |
BQQUTGKPGVPTEN-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