General Information of the Compound
| Compound ID |
CP0939134
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| Compound Name |
5-(cinnamyloxycarbonyl)-4-(3,4-dichlorophenyl)-1,4-dihydropyridine-3-carboxylic acid
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| Structure |
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| Formula |
C22H17Cl2NO4
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| Molecular Weight |
430.287
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| Canonical SMILES |
O=C(O)C1=CNC=C(C(=O)OC/C=C/c2ccccc2)C1c1ccc(Cl)c(Cl)c1
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| InChI |
InChI=1S/C22H17Cl2NO4/c23-18-9-8-15(11-19(18)24)20-16(21(26)27)12-25-13-17(20)22(28)29-10-4-7-14-5-2-1-3-6-14/h1-9,11-13,20,25H,10H2,(H,26,27)/b7-4+
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| InChIKey |
HMRRVXVOLFRPCV-QPJJXVBHSA-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