General Information of the Compound
| Compound ID |
CP0554297
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| Compound Name |
4-(3-chlorophenyl)-2,6-dimethyl-5-[[(E)-3-phenylprop-2-enyl]carbamoyl]-1,4-dihydropyridine-3-carboxylic acid
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| Structure |
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| Formula |
C24H23ClN2O3
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| Molecular Weight |
422.912
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| Canonical SMILES |
CC1=C(C(C(C(=O)NC\C=C\c2ccccc2)=C(C)N1)c1cccc(Cl)c1)C(O)=O
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| InChI |
InChI=1S/C24H23ClN2O3/c1-15-20(23(28)26-13-7-10-17-8-4-3-5-9-17)22(18-11-6-12-19(25)14-18)21(24(29)30)16(2)27-15/h3-12,14,22,27H,13H2,1-2H3,(H,26,28)(H,29,30)/b10-7+
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| InChIKey |
CQONRXCYBUXUES-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