General Information of the Compound
| Compound ID |
CP0475729
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| Compound Name |
2,2 -Dithiobis(1H-indole-3-acetic acid)
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| Structure |
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| Formula |
C20H16N2O4S2
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| Molecular Weight |
412.492
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| Canonical SMILES |
OC(=O)Cc1c(SSc2[nH]c3ccccc3c2CC(O)=O)[nH]c2ccccc12
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| InChI |
InChI=1S/C20H16N2O4S2/c23-17(24)9-13-11-5-1-3-7-15(11)21-19(13)27-28-20-14(10-18(25)26)12-6-2-4-8-16(12)22-20/h1-8,21-22H,9-10H2,(H,23,24)(H,25,26)
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| InChIKey |
WYVCKDYGPDDNFV-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