General Information of the Compound
| Compound ID |
CP0892060
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| Compound Name |
4-(2,6-Dimethyl-hept-5-enyl)-2,6-dimethyl-1,4-dihydro-pyridine-3,5-dicarboxylic acid 3-ethyl ester 5-methyl ester
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| Formula |
C21H33NO4
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| Molecular Weight |
363.498
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| Canonical SMILES |
CCO/C(O)=C1\C(C)=NC(C)=C(C(=O)OC)C1CC(C)CCC=C(C)C
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| InChI |
InChI=1S/C21H33NO4/c1-8-26-21(24)19-16(6)22-15(5)18(20(23)25-7)17(19)12-14(4)11-9-10-13(2)3/h10,14,17,24H,8-9,11-12H2,1-7H3/b21-19+
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| InChIKey |
DUQKWXIFKLCNNB-XUTLUUPISA-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