General Information of the Compound
| Compound ID |
CP0879815
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| Compound Name |
2-Butyl-4,6-dimethyl-1,4-dihydro-pyridine-3,5-dicarboxylic acid diethyl ester
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| Formula |
C17H27NO4
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| Molecular Weight |
309.406
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| Canonical SMILES |
CCCCC1=C(C(=O)OCC)C(C)/C(=C(/O)OCC)C(C)=N1
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| InChI |
InChI=1S/C17H27NO4/c1-6-9-10-13-15(17(20)22-8-3)11(4)14(12(5)18-13)16(19)21-7-2/h11,19H,6-10H2,1-5H3/b16-14+
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| InChIKey |
QIYOHPACDHFMOR-JQIJEIRASA-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