General Information of the Compound
| Compound ID |
CP0557486
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| Compound Name |
6-Methyl-3-(phenylthio)-1H-indole-2-carboxylate
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| Structure |
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| Formula |
C17H15NO2S
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| Molecular Weight |
297.379
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| Canonical SMILES |
COC(=O)c1[nH]c2cc(C)ccc2c1Sc1ccccc1
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| InChI |
InChI=1S/C17H15NO2S/c1-11-8-9-13-14(10-11)18-15(17(19)20-2)16(13)21-12-6-4-3-5-7-12/h3-10,18H,1-2H3
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| InChIKey |
QUBLUTKSZRAFKW-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