General Information of the Compound
| Compound ID |
CP0495372
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| Compound Name |
US9434711, 790
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| Structure |
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| Formula |
C26H24F3N3O4S2
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| Molecular Weight |
563.623
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| Canonical SMILES |
Cc1c(sc2ccccc12)N(Cc1ccc(OC(F)(F)F)cc1)S(=O)(=O)c1ccc(nc1)N1CCOCC1
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| InChI |
InChI=1S/C26H24F3N3O4S2/c1-18-22-4-2-3-5-23(22)37-25(18)32(17-19-6-8-20(9-7-19)36-26(27,28)29)38(33,34)21-10-11-24(30-16-21)31-12-14-35-15-13-31/h2-11,16H,12-15,17H2,1H3
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| InChIKey |
SFKAGXQYUUREMH-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