General Information of the Compound
| Compound ID |
CP0477072
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| Compound Name |
2,2 -Dithiobis(6-methyl-1H-indole-3-propanoic acid)
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| Structure |
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| Formula |
C24H24N2O4S2
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| Molecular Weight |
468.6
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| Canonical SMILES |
Cc1ccc2c(CCC(O)=O)c(SSc3[nH]c4cc(C)ccc4c3CCC(O)=O)[nH]c2c1
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| InChI |
InChI=1S/C24H24N2O4S2/c1-13-3-5-15-17(7-9-21(27)28)23(25-19(15)11-13)31-32-24-18(8-10-22(29)30)16-6-4-14(2)12-20(16)26-24/h3-6,11-12,25-26H,7-10H2,1-2H3,(H,27,28)(H,29,30)
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| InChIKey |
FBTLWPVPMRFARV-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