General Information of the Compound
| Compound ID |
CP0400983
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| Compound Name |
2-thioxo-1H-indole-3-alkanoic acid deriv. 19
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| Structure |
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| Formula |
C20H25NO6S
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| Molecular Weight |
407.488
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| Canonical SMILES |
COC(=O)CCN1C(=S)C(CCC(=O)OC)(CCC(=O)OC)c2ccccc12
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| InChI |
InChI=1S/C20H25NO6S/c1-25-16(22)8-11-20(12-9-17(23)26-2)14-6-4-5-7-15(14)21(19(20)28)13-10-18(24)27-3/h4-7H,8-13H2,1-3H3
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| InChIKey |
GJMGVLXXCHTSIG-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