General Information of the Compound
| Compound ID |
CP0259872
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| Compound Name |
US8614253, 38-15
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| Structure |
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| Formula |
C17H14N2O2S
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| Molecular Weight |
310.378
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| Canonical SMILES |
COc1cc(cc(\C=N\c2ccccn2)c1O)-c1cccs1
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| InChI |
InChI=1S/C17H14N2O2S/c1-21-14-10-12(15-5-4-8-22-15)9-13(17(14)20)11-19-16-6-2-3-7-18-16/h2-11,20H,1H3/b19-11+
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| InChIKey |
UXDFHQKTKVMODK-YBFXNURJSA-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