General Information of the Compound
| Compound ID |
CP0443730
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| Compound Name |
US9012651, 217
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| Structure |
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| Formula |
C21H27FN2O
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| Molecular Weight |
342.458
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| Canonical SMILES |
CC(C)[C@H](CO)NCc1nc(ccc1F)C1CCc2ccccc2C1
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| InChI |
InChI=1S/C21H27FN2O/c1-14(2)21(13-25)23-12-20-18(22)9-10-19(24-20)17-8-7-15-5-3-4-6-16(15)11-17/h3-6,9-10,14,17,21,23,25H,7-8,11-13H2,1-2H3/t17?,21-/m0/s1
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| InChIKey |
ALPSJAIIZKWIQZ-LFABVHOISA-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