General Information of the Compound
| Compound ID |
CP0133221
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| Compound Name |
MLS001075551
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| Structure |
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| Formula |
C21H21N3O4S
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| Molecular Weight |
411.483
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| Canonical SMILES |
CN1CCN(CC1)C1=C(NS(=O)(=O)c2ccccc2)C(=O)c2ccccc2C1=O
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| InChI |
InChI=1S/C21H21N3O4S/c1-23-11-13-24(14-12-23)19-18(22-29(27,28)15-7-3-2-4-8-15)20(25)16-9-5-6-10-17(16)21(19)26/h2-10,22H,11-14H2,1H3
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| InChIKey |
RMPULVLSYIHHQO-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