General Information of the Compound
| Compound ID |
CP0425938
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| Compound Name |
2-thioxo-1H-indole-3-alkanoic acid deriv. 18
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| Structure |
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| Formula |
C16H19NO4S
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| Molecular Weight |
321.398
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| Canonical SMILES |
COC(=O)CCC1(CCC(=O)OC)C(=S)Nc2ccccc12
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| InChI |
InChI=1S/C16H19NO4S/c1-20-13(18)7-9-16(10-8-14(19)21-2)11-5-3-4-6-12(11)17-15(16)22/h3-6H,7-10H2,1-2H3,(H,17,22)
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| InChIKey |
HIYGHVDHPBJOJY-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