General Information of the Compound
| Compound ID |
CP0467850
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| Compound Name |
2,3-Dihydro-1-methyl-2-thioxo-1H-indole-3-propanoic Acid
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| Structure |
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| Formula |
C12H13NO2S
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| Molecular Weight |
235.308
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| Canonical SMILES |
CN1C(=S)C(CCC(O)=O)c2ccccc12
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| InChI |
InChI=1S/C12H13NO2S/c1-13-10-5-3-2-4-8(10)9(12(13)16)6-7-11(14)15/h2-5,9H,6-7H2,1H3,(H,14,15)
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| InChIKey |
LBALNCFWTZTSFW-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