General Information of the Compound
| Compound ID |
CP0514970
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| Compound Name |
3-((4-Chlorophenyl)thio)-6-ethyl-1H-indole-2-carboxylic acid
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| Structure |
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| Formula |
C17H14ClNO2S
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| Molecular Weight |
331.824
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| Canonical SMILES |
CCc1ccc2c(Sc3ccc(Cl)cc3)c([nH]c2c1)C(O)=O
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| InChI |
InChI=1S/C17H14ClNO2S/c1-2-10-3-8-13-14(9-10)19-15(17(20)21)16(13)22-12-6-4-11(18)5-7-12/h3-9,19H,2H2,1H3,(H,20,21)
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| InChIKey |
IDUGGXJZGRRKEB-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