General Information of the Compound
| Compound ID |
CP0554830
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| Compound Name |
US8969586, 128
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| Structure |
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| Formula |
C20H15ClN2O2
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| Molecular Weight |
350.805
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| Canonical SMILES |
Cc1ccncc1-c1cccc2c(OCc3ccc(Cl)cc3)noc12
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| InChI |
InChI=1S/C20H15ClN2O2/c1-13-9-10-22-11-18(13)16-3-2-4-17-19(16)25-23-20(17)24-12-14-5-7-15(21)8-6-14/h2-11H,12H2,1H3
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| InChIKey |
SCOWBUGNRMASSY-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