General Information of the Compound
| Compound ID |
CP0655043
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| Compound Name |
2-Methyl-6-phenyl-4-phenylethynyl-1,4-dihydro-pyridine-3,5-dicarboxylic acid 5-benzyl ester 3-propyl ester
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| Formula |
C32H29NO4
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| Molecular Weight |
491.587
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| Canonical SMILES |
CCCO/C(O)=C1\C(C)=NC(c2ccccc2)=C(C(=O)OCc2ccccc2)C1C#Cc1ccccc1
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| InChI |
InChI=1S/C32H29NO4/c1-3-21-36-31(34)28-23(2)33-30(26-17-11-6-12-18-26)29(27(28)20-19-24-13-7-4-8-14-24)32(35)37-22-25-15-9-5-10-16-25/h4-18,27,34H,3,21-22H2,1-2H3/b31-28+
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| InChIKey |
NHJXUXHFNPXRKO-CCFHIKDMSA-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