General Information of the Compound
| Compound ID |
CP0904795
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| Compound Name |
rac-4-(3-chlorophenyl)-5-(cinnamyloxycarbonyl)-6-(dimethoxymethyl)-2-methyl-1,4-dihydropyridine-3-carboxylic acid
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| Structure |
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| Formula |
C26H26ClNO6
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| Molecular Weight |
483.948
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| Canonical SMILES |
COC(OC)C1=C(C(=O)OC/C=C/c2ccccc2)C(c2cccc(Cl)c2)C(C(=O)O)=C(C)N1
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| InChI |
InChI=1S/C26H26ClNO6/c1-16-20(24(29)30)21(18-12-7-13-19(27)15-18)22(23(28-16)26(32-2)33-3)25(31)34-14-8-11-17-9-5-4-6-10-17/h4-13,15,21,26,28H,14H2,1-3H3,(H,29,30)/b11-8+
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| InChIKey |
DYCQZLTXFOLEKQ-DHZHZOJOSA-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