General Information of the Compound
| Compound ID |
CP0925119
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| Compound Name |
2-Methyl-6-phenyl-4-((E)-styryl)-1,4-dihydro-pyridine-3,5-dicarboxylic acid 3-benzyl ester 5-ethyl ester
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| Formula |
C31H29NO4
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| Molecular Weight |
479.576
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| Canonical SMILES |
CCOC(=O)C1=C(c2ccccc2)N=C(C)/C(=C(/O)OCc2ccccc2)C1/C=C/c1ccccc1
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| InChI |
InChI=1S/C31H29NO4/c1-3-35-31(34)28-26(20-19-23-13-7-4-8-14-23)27(30(33)36-21-24-15-9-5-10-16-24)22(2)32-29(28)25-17-11-6-12-18-25/h4-20,26,33H,3,21H2,1-2H3/b20-19+,30-27+
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| InChIKey |
YWRAEFWPEGHNKW-UCQZSXFPSA-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