General Information of the Compound
| Compound ID |
CP0528950
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| Compound Name |
2,2 -Dithiobis(1-methyl-1H-indole-3-acetic acid)
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| Structure |
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| Formula |
C22H20N2O4S2
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| Molecular Weight |
440.546
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| Canonical SMILES |
Cn1c(SSc2c(CC(O)=O)c3ccccc3n2C)c(CC(O)=O)c2ccccc12
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| InChI |
InChI=1S/C22H20N2O4S2/c1-23-17-9-5-3-7-13(17)15(11-19(25)26)21(23)29-30-22-16(12-20(27)28)14-8-4-6-10-18(14)24(22)2/h3-10H,11-12H2,1-2H3,(H,25,26)(H,27,28)
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| InChIKey |
QWGHOVCDGWDKON-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