General Information of the Compound
| Compound ID |
CP0448919
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| Compound Name |
2,2 -Dithiobis(1-methyl-1H-indole-3-butanoic acid)
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| Structure |
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| Formula |
C26H28N2O4S2
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| Molecular Weight |
496.654
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| Canonical SMILES |
Cn1c(SSc2c(CCCC(O)=O)c3ccccc3n2C)c(CCCC(O)=O)c2ccccc12
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| InChI |
InChI=1S/C26H28N2O4S2/c1-27-21-13-5-3-9-17(21)19(11-7-15-23(29)30)25(27)33-34-26-20(12-8-16-24(31)32)18-10-4-6-14-22(18)28(26)2/h3-6,9-10,13-14H,7-8,11-12,15-16H2,1-2H3,(H,29,30)(H,31,32)
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| InChIKey |
ODNORDFRKWRXFV-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