General Information of the Compound
| Compound ID |
CP0890867
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| Compound Name |
4-(3-chloro-4-methoxyphenyl)-5-(cinnamyloxycarbonyl)-6-(dimethoxymethyl)-1,4-dihydropyridine-3-carboxylic acid
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| Structure |
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| Formula |
C26H26ClNO7
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| Molecular Weight |
499.947
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| Canonical SMILES |
COc1ccc(C2C(C(=O)O)=CNC(C(OC)OC)=C2C(=O)OC/C=C/c2ccccc2)cc1Cl
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| InChI |
InChI=1S/C26H26ClNO7/c1-32-20-12-11-17(14-19(20)27)21-18(24(29)30)15-28-23(26(33-2)34-3)22(21)25(31)35-13-7-10-16-8-5-4-6-9-16/h4-12,14-15,21,26,28H,13H2,1-3H3,(H,29,30)/b10-7+
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| InChIKey |
MNPCYUIPZOBQKZ-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