General Information of the Compound
| Compound ID |
CP0179464
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| Compound Name |
(R,E)-N-(1-cinnamylpyrrolidin-3-yl)-3,5-dimethoxybenzamide
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| Structure |
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| Formula |
C22H26N2O3
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| Molecular Weight |
366.461
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| Canonical SMILES |
COc1cc(OC)cc(c1)C(=O)N[C@@H]1CCN(C\C=C\c2ccccc2)C1
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| InChI |
InChI=1S/C22H26N2O3/c1-26-20-13-18(14-21(15-20)27-2)22(25)23-19-10-12-24(16-19)11-6-9-17-7-4-3-5-8-17/h3-9,13-15,19H,10-12,16H2,1-2H3,(H,23,25)/b9-6+/t19-/m1/s1
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| InChIKey |
KUNCBFJZBIUEAD-MBNRZODZSA-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