General Information of the Compound
| Compound ID |
CP0450302
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| Compound Name |
US8987473, 150
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| Structure |
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| Formula |
C16H9Cl2N3O2
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| Molecular Weight |
346.173
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| Canonical SMILES |
OC(=O)c1ccc2c(nn(Cc3c(Cl)cccc3Cl)c2c1)[N+]#[C-]
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| InChI |
InChI=1S/C16H9Cl2N3O2/c1-19-15-10-6-5-9(16(22)23)7-14(10)21(20-15)8-11-12(17)3-2-4-13(11)18/h2-7H,8H2,(H,22,23)
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| InChIKey |
DGYWLQBULWRKEK-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