General Information of the Compound
| Compound ID |
CP0516705
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| Compound Name |
US9012651, 71
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| Structure |
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| Formula |
C19H24FN3O
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| Molecular Weight |
329.419
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| Canonical SMILES |
CC(CCO)CNCc1nc(ccc1F)N1Cc2ccccc2C1
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| InChI |
InChI=1S/C19H24FN3O/c1-14(8-9-24)10-21-11-18-17(20)6-7-19(22-18)23-12-15-4-2-3-5-16(15)13-23/h2-7,14,21,24H,8-13H2,1H3
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| InChIKey |
GICUKOBECFKQRY-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