General Information of the Compound
| Compound ID |
CP0480068
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| Compound Name |
US9012651, 24
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| Structure |
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| Formula |
C20H27FN2O2
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| Molecular Weight |
346.446
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| Canonical SMILES |
CC(C)Oc1cccc(c1)-c1ccc(F)c(CN[C@@H](CO)C(C)C)n1
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| InChI |
InChI=1S/C20H27FN2O2/c1-13(2)20(12-24)22-11-19-17(21)8-9-18(23-19)15-6-5-7-16(10-15)25-14(3)4/h5-10,13-14,20,22,24H,11-12H2,1-4H3/t20-/m0/s1
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| InChIKey |
REDFIIMQDPZYLN-FQEVSTJZSA-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