General Information of the Compound
| Compound ID |
CP0547496
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| Compound Name |
MLS000115777
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| Structure |
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| Formula |
C15H12N2O3S
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| Molecular Weight |
300.339
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| Canonical SMILES |
Oc1ccc(NS(=O)(=O)c2cccc3cccnc23)cc1
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| InChI |
InChI=1S/C15H12N2O3S/c18-13-8-6-12(7-9-13)17-21(19,20)14-5-1-3-11-4-2-10-16-15(11)14/h1-10,17-18H
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| InChIKey |
KVFNSUPFXGYOKN-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