General Information of the Compound
| Compound ID |
CP0795074
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| Compound Name |
(S)-3-(4-Benzyloxy-phenyl)-2-((Z)-1-methyl-3-oxo-3-phenyl-propenylamino)-propionamide
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| Formula |
C26H26N2O3
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| Molecular Weight |
414.505
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| Canonical SMILES |
CC(/C=C(\O)c1ccccc1)=N\[C@@H](Cc1ccc(OCc2ccccc2)cc1)C(N)=O
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| InChI |
InChI=1S/C26H26N2O3/c1-19(16-25(29)22-10-6-3-7-11-22)28-24(26(27)30)17-20-12-14-23(15-13-20)31-18-21-8-4-2-5-9-21/h2-16,24,29H,17-18H2,1H3,(H2,27,30)/b25-16-,28-19+/t24-/m0/s1
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| InChIKey |
HOCMHFZFRLRZTA-QKACEWNVSA-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