General Information of the Compound
| Compound ID |
CP0324028
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| Compound Name |
3-(6-chloro-1,2-dimethylindol-3-yl)sulfanylbenzoic 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 |
Cc1c(Sc2cccc(c2)C(O)=O)c2ccc(Cl)cc2n1C
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| InChI |
InChI=1S/C17H14ClNO2S/c1-10-16(14-7-6-12(18)9-15(14)19(10)2)22-13-5-3-4-11(8-13)17(20)21/h3-9H,1-2H3,(H,20,21)
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| InChIKey |
MZXTWQCBLHBIKZ-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