General Information of the Compound
| Compound ID |
CP0557484
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| Compound Name |
Methyl 3-((4-chlorophenyl)thio)-1-ethyl-5-methyl-1H-indole-2-carboxylate
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| Structure |
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| Formula |
C19H18ClNO2S
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| Molecular Weight |
359.878
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| Canonical SMILES |
CCn1c(C(=O)OC)c(Sc2ccc(Cl)cc2)c2cc(C)ccc12
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| InChI |
InChI=1S/C19H18ClNO2S/c1-4-21-16-10-5-12(2)11-15(16)18(17(21)19(22)23-3)24-14-8-6-13(20)7-9-14/h5-11H,4H2,1-3H3
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| InChIKey |
UEPUFTDWHWJQIM-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