General Information of the Compound
| Compound ID |
CP0870473
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| Compound Name |
2-[2-(2-Carbamimidoylsulfanylmethyl-5-fluoro-phenoxy)-5-fluoro-benzyl]-isothiourea hydrobromide
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| Structure |
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| Formula |
C16H17BrF2N4OS2
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| Molecular Weight |
463.373
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| Canonical SMILES |
Br.N=C(N)SCc1cc(F)ccc1Oc1cc(F)ccc1CSC(=N)N
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| InChI |
InChI=1S/C16H16F2N4OS2.BrH/c17-11-3-4-13(10(5-11)8-25-16(21)22)23-14-6-12(18)2-1-9(14)7-24-15(19)20;/h1-6H,7-8H2,(H3,19,20)(H3,21,22);1H
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| InChIKey |
DLVNGGJYRCPXIW-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