General Information of the Compound
| Compound ID |
CP0904786
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| Compound Name |
5-(cinnamyloxycarbonyl)-4-(3-(trifluoromethyl)phenyl)-1,4-dihydropyridine-3-carboxylic acid
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| Structure |
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| Formula |
C23H18F3NO4
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| Molecular Weight |
429.394
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| Canonical SMILES |
O=C(O)C1=CNC=C(C(=O)OC/C=C/c2ccccc2)C1c1cccc(C(F)(F)F)c1
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| InChI |
InChI=1S/C23H18F3NO4/c24-23(25,26)17-10-4-9-16(12-17)20-18(21(28)29)13-27-14-19(20)22(30)31-11-5-8-15-6-2-1-3-7-15/h1-10,12-14,20,27H,11H2,(H,28,29)/b8-5+
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| InChIKey |
CJBYVDGIUVDKNQ-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