General Information of the Compound
| Compound ID |
CP0441559
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| Compound Name |
US8987473, 171
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| Structure |
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| Formula |
C16H13Cl2N7
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| Molecular Weight |
374.235
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| Canonical SMILES |
CCc1nn(Cc2c(Cl)cccc2Cl)c2cc(cnc12)-c1nnn[nH]1
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| InChI |
InChI=1S/C16H13Cl2N7/c1-2-13-15-14(6-9(7-19-15)16-20-23-24-21-16)25(22-13)8-10-11(17)4-3-5-12(10)18/h3-7H,2,8H2,1H3,(H,20,21,23,24)
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| InChIKey |
CHILEOYFCZUBDL-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