General Information of the Compound
| Compound ID |
CP0570390
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| Compound Name |
1-[[5-[N'-(3-bromophenyl)-N-hydroxycarbamimidoyl]thiophen-3-yl]methyl]-3-(4-cyanophenyl)urea
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| Structure |
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| Formula |
C20H16BrN5O2S
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| Molecular Weight |
470.352
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| Canonical SMILES |
O\N=C(/Nc1cccc(Br)c1)c1cc(CNC(=O)Nc2ccc(cc2)C#N)cs1
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| InChI |
InChI=1S/C20H16BrN5O2S/c21-15-2-1-3-17(9-15)24-19(26-28)18-8-14(12-29-18)11-23-20(27)25-16-6-4-13(10-22)5-7-16/h1-9,12,28H,11H2,(H,24,26)(H2,23,25,27)
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| InChIKey |
LJGPXYWPIBEPHB-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