General Information of the Compound
| Compound ID |
CP0506228
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| Compound Name |
2-[3-Methyl-3-(2-phenylethyl)thioureido]benzoic Acid
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| Structure |
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| Formula |
C17H18N2O2S
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| Molecular Weight |
314.41
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| Canonical SMILES |
CN(CCc1ccccc1)C(=S)Nc1ccccc1C(O)=O
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| InChI |
InChI=1S/C17H18N2O2S/c1-19(12-11-13-7-3-2-4-8-13)17(22)18-15-10-6-5-9-14(15)16(20)21/h2-10H,11-12H2,1H3,(H,18,22)(H,20,21)
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| InChIKey |
XWHHXFLJMQCZEZ-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