General Information of the Compound
| Compound ID |
CP0570089
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| Compound Name |
1-[[5-[N'-(3-bromophenyl)-N-hydroxycarbamimidoyl]thiophen-3-yl]methyl]-3-[4-(trifluoromethyl)phenyl]urea
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| Structure |
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| Formula |
C20H16BrF3N4O2S
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| Molecular Weight |
513.339
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| Canonical SMILES |
O\N=C(/Nc1cccc(Br)c1)c1cc(CNC(=O)Nc2ccc(cc2)C(F)(F)F)cs1
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| InChI |
InChI=1S/C20H16BrF3N4O2S/c21-14-2-1-3-16(9-14)26-18(28-30)17-8-12(11-31-17)10-25-19(29)27-15-6-4-13(5-7-15)20(22,23)24/h1-9,11,30H,10H2,(H,26,28)(H2,25,27,29)
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| InChIKey |
YYPLRDORLSYDLT-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