General Information of the Compound
| Compound ID |
CP0555616
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| Compound Name |
US8987473, 172
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| Structure |
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| Formula |
C14H8Cl3N3O2
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| Molecular Weight |
356.596
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| Canonical SMILES |
OC(=O)c1cnc2c(Cl)nn(Cc3c(Cl)cccc3Cl)c2c1
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| InChI |
InChI=1S/C14H8Cl3N3O2/c15-9-2-1-3-10(16)8(9)6-20-11-4-7(14(21)22)5-18-12(11)13(17)19-20/h1-5H,6H2,(H,21,22)
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| InChIKey |
QUODMFUSKPAJBO-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