General Information of the Compound
| Compound ID |
CP0577315
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| Compound Name |
US10167273, Example 32
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| Structure |
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| Formula |
C17H20F3N3O4S
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| Molecular Weight |
419.425
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| Canonical SMILES |
Cc1n[nH]c(C)c1S(=O)(=O)N1CCC(CC1)Oc1ccc(OC(F)(F)F)cc1
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| InChI |
InChI=1S/C17H20F3N3O4S/c1-11-16(12(2)22-21-11)28(24,25)23-9-7-14(8-10-23)26-13-3-5-15(6-4-13)27-17(18,19)20/h3-6,14H,7-10H2,1-2H3,(H,21,22)
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| InChIKey |
UFSSRNCPSVHYNX-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