General Information of the Compound
| Compound ID |
CP0517284
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| Compound Name |
US9434711, 768
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| Structure |
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| Formula |
C21H21ClFNO3S2
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| Molecular Weight |
453.988
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| Canonical SMILES |
CCS(=O)(=O)N(Cc1cc(OC)c(Cl)cc1F)c1sc2ccccc2c1C(C)=C
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| InChI |
InChI=1S/C21H21ClFNO3S2/c1-5-29(25,26)24(12-14-10-18(27-4)16(22)11-17(14)23)21-20(13(2)3)15-8-6-7-9-19(15)28-21/h6-11H,2,5,12H2,1,3-4H3
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| InChIKey |
QBGUBWLFIPMNTL-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