General Information of the Compound
| Compound ID |
CP0897690
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| Compound Name |
N-(3-(1H-1,2,4-triazol-5-ylthio)-4-hydroxynaphthalen-1-yl)-3-(2,5-dioxopyrrolidin-1-yl)-2,6-difluorobenzenesulfonamide
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| Structure |
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| Formula |
C22H15F2N5O5S2
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| Molecular Weight |
531.522
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| Canonical SMILES |
O=C1CCC(=O)N1c1ccc(F)c(S(=O)(=O)Nc2cc(Sc3ncn[nH]3)c(O)c3ccccc23)c1F
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| InChI |
InChI=1S/C22H15F2N5O5S2/c23-13-5-6-15(29-17(30)7-8-18(29)31)19(24)21(13)36(33,34)28-14-9-16(35-22-25-10-26-27-22)20(32)12-4-2-1-3-11(12)14/h1-6,9-10,28,32H,7-8H2,(H,25,26,27)
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| InChIKey |
SMOHLYVXOWCTGD-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