General Information of the Compound
| Compound ID |
CP0484037
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| Compound Name |
US9012651, 127
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| Structure |
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| Formula |
C19H25FN2O
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| Molecular Weight |
316.42
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| Canonical SMILES |
CC(C)[C@H](CO)NCc1nc(ccc1F)C(C)c1ccccc1
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| InChI |
InChI=1S/C19H25FN2O/c1-13(2)19(12-23)21-11-18-16(20)9-10-17(22-18)14(3)15-7-5-4-6-8-15/h4-10,13-14,19,21,23H,11-12H2,1-3H3/t14?,19-/m0/s1
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| InChIKey |
ARLFQTBPUIZLCK-PKDNWHCCSA-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