General Information of the Compound
| Compound ID |
CP0534936
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| Compound Name |
1-[[5-[N'-(3-bromophenyl)-N-hydroxycarbamimidoyl]thiophen-2-yl]methyl]-3-(3-methylphenyl)urea
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| Structure |
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| Formula |
C20H19BrN4O2S
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| Molecular Weight |
459.369
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| Canonical SMILES |
Cc1cccc(NC(=O)NCc2ccc(s2)C(\Nc2cccc(Br)c2)=N\O)c1
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| InChI |
InChI=1S/C20H19BrN4O2S/c1-13-4-2-6-15(10-13)24-20(26)22-12-17-8-9-18(28-17)19(25-27)23-16-7-3-5-14(21)11-16/h2-11,27H,12H2,1H3,(H,23,25)(H2,22,24,26)
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| InChIKey |
KYNFPLHHTNFIKT-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