General Information of the Compound
| Compound ID |
CP0450303
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| Compound Name |
US8987473, 170
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| Structure |
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| Formula |
C17H16ClN3O2
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| Molecular Weight |
329.787
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| Canonical SMILES |
CCc1nn(Cc2c(C)cccc2Cl)c2cc(cnc12)C(O)=O
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| InChI |
InChI=1S/C17H16ClN3O2/c1-3-14-16-15(7-11(8-19-16)17(22)23)21(20-14)9-12-10(2)5-4-6-13(12)18/h4-8H,3,9H2,1-2H3,(H,22,23)
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| InChIKey |
MMEADCLKMLJOJT-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