General Information of the Compound
| Compound ID |
CP0117355
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| Compound Name |
4-(2-(4-bromophenylamino)-2-oxoethyl)-N-ethylpiperazine-1-carbimidothioic acid
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| Structure |
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| Formula |
C15H21BrN4OS
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| Molecular Weight |
385.331
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| Canonical SMILES |
CCNC(=S)N1CCN(CC(=O)Nc2ccc(Br)cc2)CC1
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| InChI |
InChI=1S/C15H21BrN4OS/c1-2-17-15(22)20-9-7-19(8-10-20)11-14(21)18-13-5-3-12(16)4-6-13/h3-6H,2,7-11H2,1H3,(H,17,22)(H,18,21)
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| InChIKey |
MBMJQKOVFIPRDH-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