General Information of the Compound
| Compound ID |
CP0904109
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| Compound Name |
4-(4-chlorophenyl)-5-(cinnamyloxycarbonyl)-6-(dimethoxymethyl)-1,4-dihydropyridine-3-carboxylic acid
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| Structure |
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| Formula |
C25H24ClNO6
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| Molecular Weight |
469.921
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| Canonical SMILES |
COC(OC)C1=C(C(=O)OC/C=C/c2ccccc2)C(c2ccc(Cl)cc2)C(C(=O)O)=CN1
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| InChI |
InChI=1S/C25H24ClNO6/c1-31-25(32-2)22-21(24(30)33-14-6-9-16-7-4-3-5-8-16)20(19(15-27-22)23(28)29)17-10-12-18(26)13-11-17/h3-13,15,20,25,27H,14H2,1-2H3,(H,28,29)/b9-6+
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| InChIKey |
XARRKQQSGMKEIY-RMKNXTFCSA-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