General Information of the Compound
| Compound ID |
CP0572276
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| Compound Name |
US10167273, Example 42
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| Structure |
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| Formula |
C17H21F2N3O4S
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| Molecular Weight |
401.435
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| Canonical SMILES |
COc1c(F)cc(OC2CCN(CC2)S(=O)(=O)c2c(C)n[nH]c2C)cc1F
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| InChI |
InChI=1S/C17H21F2N3O4S/c1-10-17(11(2)21-20-10)27(23,24)22-6-4-12(5-7-22)26-13-8-14(18)16(25-3)15(19)9-13/h8-9,12H,4-7H2,1-3H3,(H,20,21)
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| InChIKey |
HZCQBHWDPPWYJG-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