General Information of the Compound
| Compound ID |
CP0410707
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| Compound Name |
3-O-benzyl 5-O-ethyl 2-cyclopropyl-6-methyl-4-(2-phenylethynyl)-1,4-dihydropyridine-3,5-dicarboxylate
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| Structure |
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| Formula |
C28H27NO4
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| Molecular Weight |
441.527
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| Canonical SMILES |
CCOC(=O)C1=C(C)NC(C2CC2)=C(C1C#Cc1ccccc1)C(=O)OCc1ccccc1
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| InChI |
InChI=1S/C28H27NO4/c1-3-32-27(30)24-19(2)29-26(22-15-16-22)25(23(24)17-14-20-10-6-4-7-11-20)28(31)33-18-21-12-8-5-9-13-21/h4-13,22-23,29H,3,15-16,18H2,1-2H3
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| InChIKey |
CAGJPODZEXPAJO-UHFFFAOYSA-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