General Information of the Compound
| Compound ID |
CP0530544
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| Compound Name |
Methyl 3-((4-chlorophenyl)thio)-4-methyl-1H-indole-2-carboxylate
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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 |
COC(=O)c1[nH]c2cccc(C)c2c1Sc1ccc(Cl)cc1
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| InChI |
InChI=1S/C17H14ClNO2S/c1-10-4-3-5-13-14(10)16(15(19-13)17(20)21-2)22-12-8-6-11(18)7-9-12/h3-9,19H,1-2H3
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| InChIKey |
LCFQXKGFEKQVIO-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