General Information of the Compound
| Compound ID |
CP0927010
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| Compound Name |
2,6-Dimethyl-4-(2-trifluoromethyl-phenyl)-1,4-dihydro-pyridine-3,5-dicarboxylic acid 3-ethyl ester 5-methyl ester
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| Formula |
C19H20F3NO4
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| Molecular Weight |
383.366
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| Canonical SMILES |
CCO/C(O)=C1\C(C)=NC(C)=C(C(=O)OC)C1c1ccccc1C(F)(F)F
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| InChI |
InChI=1S/C19H20F3NO4/c1-5-27-18(25)15-11(3)23-10(2)14(17(24)26-4)16(15)12-8-6-7-9-13(12)19(20,21)22/h6-9,16,25H,5H2,1-4H3/b18-15+
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| InChIKey |
LFMYQWHPKVYIOI-OBGWFSINSA-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