General Information of the Compound
| Compound ID |
CP0082252
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| Compound Name |
2,2 -Dithiobis(1H-indole-3-propanoic 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 |
OC(=O)CCc1c(SSc2[nH]c3ccccc3c2CCC(O)=O)[nH]c2ccccc12
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| InChI |
InChI=1S/C22H20N2O4S2/c25-19(26)11-9-15-13-5-1-3-7-17(13)23-21(15)29-30-22-16(10-12-20(27)28)14-6-2-4-8-18(14)24-22/h1-8,23-24H,9-12H2,(H,25,26)(H,27,28)
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| InChIKey |
WKVZBEWEEYDDMO-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