General Information of the Compound
| Compound ID |
CP0266776
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| Compound Name |
(E)-N-[2-(cyclohexylamino)-1-(4-fluorophenyl)-2-oxoethyl]-N-cyclopropyl-4-(4-methylphenyl)-4-oxobut-2-enamide
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| Structure |
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| Formula |
C28H31FN2O3
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| Molecular Weight |
462.565
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| Canonical SMILES |
Cc1ccc(cc1)C(=O)\C=C\C(=O)N(C(C(=O)NC1CCCCC1)c1ccc(F)cc1)C1CC1
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| InChI |
InChI=1S/C28H31FN2O3/c1-19-7-9-20(10-8-19)25(32)17-18-26(33)31(24-15-16-24)27(21-11-13-22(29)14-12-21)28(34)30-23-5-3-2-4-6-23/h7-14,17-18,23-24,27H,2-6,15-16H2,1H3,(H,30,34)/b18-17+
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| InChIKey |
NFCZKQYEAWWXPC-ISLYRVAYSA-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