General Information of the Compound
| Compound ID |
CP0530678
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| Compound Name |
US9303045, 55
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| Structure |
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| Formula |
C19H22ClFN2O2
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| Molecular Weight |
364.848
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| Canonical SMILES |
CN1C2CCC1CC(C2)OC(=O)c1c(Cl)n(CCF)c2ccccc12
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| InChI |
InChI=1S/C19H22ClFN2O2/c1-22-12-6-7-13(22)11-14(10-12)25-19(24)17-15-4-2-3-5-16(15)23(9-8-21)18(17)20/h2-5,12-14H,6-11H2,1H3
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| InChIKey |
JTHWRADDYOPGOY-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