General Information of the Compound
| Compound ID |
CP0866573
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| Compound Name |
4-(4-chlorophenyl)-5-(cinnamyloxycarbonyl)-1,4-dihydropyridine-3-carboxylic acid
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| Structure |
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| Formula |
C22H18ClNO4
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| Molecular Weight |
395.842
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| Canonical SMILES |
O=C(O)C1=CNC=C(C(=O)OC/C=C/c2ccccc2)C1c1ccc(Cl)cc1
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| InChI |
InChI=1S/C22H18ClNO4/c23-17-10-8-16(9-11-17)20-18(21(25)26)13-24-14-19(20)22(27)28-12-4-7-15-5-2-1-3-6-15/h1-11,13-14,20,24H,12H2,(H,25,26)/b7-4+
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| InChIKey |
QCBLVEOJFDTYFZ-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