General Information of the Compound
| Compound ID |
CP0849791
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| Compound Name |
(2-chloro-8-fluorodibenzo[b,d]thiophene-4,6-diyl)bis(methylene)dicarbamimidothioate hydrobromide
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| Structure |
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| Formula |
C16H15BrClFN4S3
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| Molecular Weight |
493.88
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| Canonical SMILES |
Br.N=C(N)SCc1cc(F)cc2c1sc1c(CSC(=N)N)cc(Cl)cc12
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| InChI |
InChI=1S/C16H14ClFN4S3.BrH/c17-9-1-7(5-23-15(19)20)13-11(3-9)12-4-10(18)2-8(14(12)25-13)6-24-16(21)22;/h1-4H,5-6H2,(H3,19,20)(H3,21,22);1H
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| InChIKey |
UDFWJRCLVWLESI-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