General Information of the Compound
| Compound ID |
CP0846915
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| Compound Name |
5-[(4-{2-[5-(1,2-dithiolan-3-yl)pentylmethylamino]ethoxy}-phenyl)methyl]-1,3-thiazolidine-2,4-dione hydrochloride
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| Structure |
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| Formula |
C20H29ClN2O3S3
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| Molecular Weight |
477.117
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| Canonical SMILES |
CN(CCCCC1CCSS1)CCOc1ccc(CC2SC(=O)NC2=O)cc1.Cl
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| InChI |
InChI=1S/C20H28N2O3S3.ClH/c1-22(10-3-2-4-17-9-13-26-28-17)11-12-25-16-7-5-15(6-8-16)14-18-19(23)21-20(24)27-18;/h5-8,17-18H,2-4,9-14H2,1H3,(H,21,23,24);1H
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| InChIKey |
OGAITOSGNMBNBI-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