General Information of the Compound
| Compound ID |
CP0904110
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| Compound Name |
5-(cinnamyloxycarbonyl)-4-(3,5-dichloro-4-methoxyphenyl)-6-(dimethoxymethyl)-1,4-dihydropyridine-3-carboxylic acid
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| Structure |
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| Formula |
C26H25Cl2NO7
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| Molecular Weight |
534.392
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| Canonical SMILES |
COc1c(Cl)cc(C2C(C(=O)O)=CNC(C(OC)OC)=C2C(=O)OC/C=C/c2ccccc2)cc1Cl
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| InChI |
InChI=1S/C26H25Cl2NO7/c1-33-23-18(27)12-16(13-19(23)28)20-17(24(30)31)14-29-22(26(34-2)35-3)21(20)25(32)36-11-7-10-15-8-5-4-6-9-15/h4-10,12-14,20,26,29H,11H2,1-3H3,(H,30,31)/b10-7+
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| InChIKey |
LWFVCQIIGFWCHV-JXMROGBWSA-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