General Information of the Compound
| Compound ID |
CP0873768
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| Compound Name |
2-[2-(2-Carbamimidoylsulfanylmethyl-4,5-difluoro-phenylsulfanyl)-5-fluoro-benzyl]-isothiourea hydrobromide
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| Structure |
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| Formula |
C16H16BrF3N4S3
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| Molecular Weight |
497.431
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| Canonical SMILES |
Br.N=C(N)SCc1cc(F)ccc1Sc1cc(F)c(F)cc1CSC(=N)N
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| InChI |
InChI=1S/C16H15F3N4S3.BrH/c17-10-1-2-13(8(3-10)6-24-15(20)21)26-14-5-12(19)11(18)4-9(14)7-25-16(22)23;/h1-5H,6-7H2,(H3,20,21)(H3,22,23);1H
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| InChIKey |
SNCRGBRRKHYYHG-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