General Information of the Compound
| Compound ID |
CP0490247
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| Compound Name |
US9409917, 39
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| Structure |
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| Formula |
C16H14Cl2N2O2
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| Molecular Weight |
337.206
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| Canonical SMILES |
Clc1ccc(CNC(=O)C2CCOc3ncccc23)c(Cl)c1
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| InChI |
InChI=1S/C16H14Cl2N2O2/c17-11-4-3-10(14(18)8-11)9-20-15(21)12-5-7-22-16-13(12)2-1-6-19-16/h1-4,6,8,12H,5,7,9H2,(H,20,21)
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| InChIKey |
HBKPYZFWFANAAR-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