General Information of the Compound
| Compound ID |
CP0908455
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| Compound Name |
5-(cinnamyloxycarbonyl)-4-(3,5-dichlorophenyl)-6-(dimethoxymethyl)-1,4-dihydropyridine-3-carboxylic acid
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| Structure |
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| Formula |
C25H23Cl2NO6
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| Molecular Weight |
504.366
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| Canonical SMILES |
COC(OC)C1=C(C(=O)OC/C=C/c2ccccc2)C(c2cc(Cl)cc(Cl)c2)C(C(=O)O)=CN1
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| InChI |
InChI=1S/C25H23Cl2NO6/c1-32-25(33-2)22-21(24(31)34-10-6-9-15-7-4-3-5-8-15)20(19(14-28-22)23(29)30)16-11-17(26)13-18(27)12-16/h3-9,11-14,20,25,28H,10H2,1-2H3,(H,29,30)/b9-6+
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| InChIKey |
RVBHWRBXUWZGKP-RMKNXTFCSA-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