General Information of the Compound
| Compound ID |
CP0412328
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| Compound Name |
3-(3-((3,5-Dichlorophenyl)thio)-6-methyl-1H-indol-2-yl)propanoic acid
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| Structure |
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| Formula |
C18H16Cl2N2OS
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| Molecular Weight |
379.312
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| Canonical SMILES |
Cc1ccc2c(Sc3cc(Cl)cc(Cl)c3)c(CCC(N)=O)[nH]c2c1
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| InChI |
InChI=1S/C18H16Cl2N2OS/c1-10-2-3-14-16(6-10)22-15(4-5-17(21)23)18(14)24-13-8-11(19)7-12(20)9-13/h2-3,6-9,22H,4-5H2,1H3,(H2,21,23)
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| InChIKey |
BUCMJAVKKILLJB-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