General Information of the Compound
| Compound ID |
CP0490083
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| Compound Name |
US9315498, 173
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| Structure |
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| Formula |
C17H14N2O3S
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| Molecular Weight |
326.377
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| Canonical SMILES |
O=C1CS(=O)(=O)CCN1c1ccc(cn1)C#Cc1ccccc1
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| InChI |
InChI=1S/C17H14N2O3S/c20-17-13-23(21,22)11-10-19(17)16-9-8-15(12-18-16)7-6-14-4-2-1-3-5-14/h1-5,8-9,12H,10-11,13H2
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| InChIKey |
CEGIJZFEIDUTNC-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