General Information of the Compound
| Compound ID |
CP0939135
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| Compound Name |
4-(3-chloro-4-methoxyphenyl)-5-(cinnamyloxycarbonyl)-1,4-dihydropyridine-3-carboxylic acid
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| Structure |
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| Formula |
C23H20ClNO5
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| Molecular Weight |
425.868
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| Canonical SMILES |
COc1ccc(C2C(C(=O)O)=CNC=C2C(=O)OC/C=C/c2ccccc2)cc1Cl
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| InChI |
InChI=1S/C23H20ClNO5/c1-29-20-10-9-16(12-19(20)24)21-17(22(26)27)13-25-14-18(21)23(28)30-11-5-8-15-6-3-2-4-7-15/h2-10,12-14,21,25H,11H2,1H3,(H,26,27)/b8-5+
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| InChIKey |
DOJAQNDIRBPMDC-VMPITWQZSA-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