General Information of the Compound
| Compound ID |
CP0481213
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| Compound Name |
US10167273, Example 3
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| Structure |
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| Formula |
C18H22F3N3O4S
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| Molecular Weight |
433.452
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| Canonical SMILES |
Cc1nn(C)c(C)c1S(=O)(=O)N1CCC(CC1)Oc1ccc(OC(F)(F)F)cc1
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| InChI |
InChI=1S/C18H22F3N3O4S/c1-12-17(13(2)23(3)22-12)29(25,26)24-10-8-15(9-11-24)27-14-4-6-16(7-5-14)28-18(19,20)21/h4-7,15H,8-11H2,1-3H3
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| InChIKey |
HRJWLVQPOCRWBC-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