General Information of the Compound
| Compound ID |
CP0845303
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| Compound Name |
(Z)-2-(3-(3-fluoro-4-((4-fluorobenzyl)(pyridin-2-ylmethyl)amino)piperidin-1-yl)-3-oxoprop-1-enyl)benzonitrile
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| Structure |
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| Formula |
C28H26F2N4O
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| Molecular Weight |
472.539
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| Canonical SMILES |
N#Cc1ccccc1/C=C\C(=O)N1CCC(N(Cc2ccc(F)cc2)Cc2ccccn2)C(F)C1
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| InChI |
InChI=1S/C28H26F2N4O/c29-24-11-8-21(9-12-24)18-34(19-25-7-3-4-15-32-25)27-14-16-33(20-26(27)30)28(35)13-10-22-5-1-2-6-23(22)17-31/h1-13,15,26-27H,14,16,18-20H2/b13-10-
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| InChIKey |
FTJYPFRYLYIRQA-RAXLEYEMSA-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