General Information of the Compound
| Compound ID |
CP0828463
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| Compound Name |
2-Methyl-6-phenyl-4-phenylethynyl-1,4-dihydro-pyridine-3,5-dicarboxylic acid 3-ethyl ester 5-(3-phenyl-propyl) ester
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| Formula |
C33H31NO4
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| Molecular Weight |
505.614
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| Canonical SMILES |
CCO/C(O)=C1\C(C)=NC(c2ccccc2)=C(C(=O)OCCCc2ccccc2)C1C#Cc1ccccc1
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| InChI |
InChI=1S/C33H31NO4/c1-3-37-32(35)29-24(2)34-31(27-19-11-6-12-20-27)30(28(29)22-21-26-16-9-5-10-17-26)33(36)38-23-13-18-25-14-7-4-8-15-25/h4-12,14-17,19-20,28,35H,3,13,18,23H2,1-2H3/b32-29+
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| InChIKey |
DQVGGZDGXRHKST-UUDCSCGESA-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