General Information of the Compound
| Compound ID |
CP0541021
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| Compound Name |
Dimethyl 2,2 -Dithiobis(1-methyl-1H-indole-3-butanoate)
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| Structure |
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| Formula |
C28H32N2O4S2
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| Molecular Weight |
524.708
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| Canonical SMILES |
COC(=O)CCCc1c(SSc2c(CCCC(=O)OC)c3ccccc3n2C)n(C)c2ccccc12
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| InChI |
InChI=1S/C28H32N2O4S2/c1-29-23-15-7-5-11-19(23)21(13-9-17-25(31)33-3)27(29)35-36-28-22(14-10-18-26(32)34-4)20-12-6-8-16-24(20)30(28)2/h5-8,11-12,15-16H,9-10,13-14,17-18H2,1-4H3
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| InChIKey |
IOJZVEHURUQVIF-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