General Information of the Compound
| Compound ID |
CP0918277
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| Compound Name |
2-Methyl-6-phenyl-4-styryl-1,4-dihydro-pyridine-3,5-dicarboxylic acid diethyl ester
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| Formula |
C27H27NO6
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| Molecular Weight |
461.514
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| Canonical SMILES |
CCOC(=O)C1=C(c2ccccc2)N=C(C)/C(=C(/O)OC[C@H](O)CO)[C@H]1C#Cc1ccccc1
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| InChI |
InChI=1S/C27H27NO6/c1-3-33-27(32)24-22(15-14-19-10-6-4-7-11-19)23(26(31)34-17-21(30)16-29)18(2)28-25(24)20-12-8-5-9-13-20/h4-13,21-22,29-31H,3,16-17H2,1-2H3/b26-23+/t21-,22-/m1/s1
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| InChIKey |
WNHTXFKIIFAXOV-KVMWSYRPSA-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