General Information of the Compound
| Compound ID |
CP0957280
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| Compound Name |
US9133168, Example 8e
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| Structure |
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| Formula |
C19H19F3N4O2S
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| Molecular Weight |
424.448
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| Canonical SMILES |
CC1Cc2c(ccc(F)c2F)N1C(=O)Cc1nc(N2CCOCC2)c(F)c(=S)[nH]1
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| InChI |
InChI=1S/C19H19F3N4O2S/c1-10-8-11-13(3-2-12(20)16(11)21)26(10)15(27)9-14-23-18(17(22)19(29)24-14)25-4-6-28-7-5-25/h2-3,10H,4-9H2,1H3,(H,23,24,29)
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| InChIKey |
GZDNQFWFASUDHW-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