General Information of the Compound
| Compound ID |
CP0261821
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| Compound Name |
(S,E)-1-(3-(3-(4-fluorobenzyl)piperidin-1-yl)prop-1-enyl)-3-(3-acetylphenyl)urea
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| Structure |
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| Formula |
C24H28FN3O2
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| Molecular Weight |
409.505
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| Canonical SMILES |
CC(=O)c1cccc(NC(=O)N\C=C\CN2CCC[C@@H](Cc3ccc(F)cc3)C2)c1
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| InChI |
InChI=1S/C24H28FN3O2/c1-18(29)21-6-2-7-23(16-21)27-24(30)26-12-4-14-28-13-3-5-20(17-28)15-19-8-10-22(25)11-9-19/h2,4,6-12,16,20H,3,5,13-15,17H2,1H3,(H2,26,27,30)/b12-4+/t20-/m0/s1
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| InChIKey |
DHVVNENKLSLVOC-JEFHHPKPSA-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