General Information of the Compound
| Compound ID |
CP0532926
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| Compound Name |
2-[(7-chloro-1H-indol-3-yl)methyl]-3-methyl-1-(4-methylphenyl)sulfonylindole
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| Structure |
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| Formula |
C25H21ClN2O2S
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| Molecular Weight |
448.975
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| Canonical SMILES |
Cc1c(Cc2c[nH]c3c(Cl)cccc23)n(c2ccccc12)S(=O)(=O)c1ccc(C)cc1
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| InChI |
InChI=1S/C25H21ClN2O2S/c1-16-10-12-19(13-11-16)31(29,30)28-23-9-4-3-6-20(23)17(2)24(28)14-18-15-27-25-21(18)7-5-8-22(25)26/h3-13,15,27H,14H2,1-2H3
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| InChIKey |
KLEFPUAMYPODBJ-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