General Information of the Compound
| Compound ID |
CP0833492
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| Compound Name |
2-Methyl-6-phenyl-4-phenylethynyl-1,4-dihydro-pyridine-3,5-dicarboxylic acid 3-ethyl ester 5-(4-trifluoromethyl-benzyl) ester
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| Formula |
C32H26F3NO4
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| Molecular Weight |
545.557
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| Canonical SMILES |
CCO/C(O)=C1\C(C)=NC(c2ccccc2)=C(C(=O)OCc2ccc(C(F)(F)F)cc2)C1C#Cc1ccccc1
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| InChI |
InChI=1S/C32H26F3NO4/c1-3-39-30(37)27-21(2)36-29(24-12-8-5-9-13-24)28(26(27)19-16-22-10-6-4-7-11-22)31(38)40-20-23-14-17-25(18-15-23)32(33,34)35/h4-15,17-18,26,37H,3,20H2,1-2H3/b30-27+
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| InChIKey |
APNQNNYXRNUXIN-KDJFERLWSA-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