General Information of the Compound
| Compound ID |
CP0463307
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| Compound Name |
2-thioxo-1H-indole-3-alkanoic acid deriv. 12
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| Structure |
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| Formula |
C13H15NO2S
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| Molecular Weight |
249.335
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| Canonical SMILES |
COC(=O)CCC1C(=S)N(C)c2ccccc12
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| InChI |
InChI=1S/C13H15NO2S/c1-14-11-6-4-3-5-9(11)10(13(14)17)7-8-12(15)16-2/h3-6,10H,7-8H2,1-2H3
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| InChIKey |
XUVRAMTZZUYTTG-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