General Information of the Compound
| Compound ID |
CP0869904
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| Compound Name |
3-tert-butyl 5-methyl 4-(2-methoxyphenyl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate
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| Structure |
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| Formula |
C21H27NO5
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| Molecular Weight |
373.449
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| Canonical SMILES |
COC(=O)C1=C(C)NC(C)=C(C(=O)OC(C)(C)C)C1c1ccccc1OC
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| InChI |
InChI=1S/C21H27NO5/c1-12-16(19(23)26-7)18(14-10-8-9-11-15(14)25-6)17(13(2)22-12)20(24)27-21(3,4)5/h8-11,18,22H,1-7H3
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| InChIKey |
QVPAULIMOWOTHB-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