General Information of the Compound
| Compound ID |
CP0885329
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| Compound Name |
5-(cinnamyloxycarbonyl)-6-(dimethoxymethyl)-4-(3-(trifluoromethyl)phenyl)-1,4-dihydropyridine-3-carboxylic acid
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| Structure |
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| Formula |
C26H24F3NO6
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| Molecular Weight |
503.473
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| Canonical SMILES |
COC(OC)C1=C(C(=O)OC/C=C/c2ccccc2)C(c2cccc(C(F)(F)F)c2)C(C(=O)O)=CN1
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| InChI |
InChI=1S/C26H24F3NO6/c1-34-25(35-2)22-21(24(33)36-13-7-10-16-8-4-3-5-9-16)20(19(15-30-22)23(31)32)17-11-6-12-18(14-17)26(27,28)29/h3-12,14-15,20,25,30H,13H2,1-2H3,(H,31,32)/b10-7+
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| InChIKey |
BNSVAAGAODTIFW-JXMROGBWSA-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