General Information of the Compound
| Compound ID |
CP0485946
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| Compound Name |
2,6-dimethyl-4-(3-nitrophenyl)-5-[(E)-3-phenylprop-2-enoxy]carbonyl-1,4-dihydropyridine-3-carboxylic acid
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| Structure |
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| Formula |
C24H22N2O6
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| Molecular Weight |
434.448
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| Canonical SMILES |
CC1=C(C(C(C(=O)OC\C=C\c2ccccc2)=C(C)N1)c1cccc(c1)[N+]([O-])=O)C(O)=O
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| InChI |
InChI=1S/C24H22N2O6/c1-15-20(23(27)28)22(18-11-6-12-19(14-18)26(30)31)21(16(2)25-15)24(29)32-13-7-10-17-8-4-3-5-9-17/h3-12,14,22,25H,13H2,1-2H3,(H,27,28)/b10-7+
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| InChIKey |
ULEJCAREEWJVCF-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