General Information of the Compound
| Compound ID |
CP0230129
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| Compound Name |
PDD00013907 (1)
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| Structure |
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| Formula |
C18H17NO4S
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| Molecular Weight |
343.404
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| Canonical SMILES |
CC(C)(C)NS(=O)(=O)c1ccc2C(=O)c3ccccc3C(=O)c2c1
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| InChI |
InChI=1S/C18H17NO4S/c1-18(2,3)19-24(22,23)11-8-9-14-15(10-11)17(21)13-7-5-4-6-12(13)16(14)20/h4-10,19H,1-3H3
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| InChIKey |
LWNJBYGFPRLQHH-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