General Information of the Compound
| Compound ID |
CP0502845
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| Compound Name |
N-[(4-tert-butylphenyl)methyl]-2-(3-chloro-4-hydroxy-5-methoxyphenyl)acetamide
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| Structure |
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| Formula |
C20H24ClNO3
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| Molecular Weight |
361.869
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| Canonical SMILES |
COc1cc(CC(=O)NCc2ccc(cc2)C(C)(C)C)cc(Cl)c1O
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| InChI |
InChI=1S/C20H24ClNO3/c1-20(2,3)15-7-5-13(6-8-15)12-22-18(23)11-14-9-16(21)19(24)17(10-14)25-4/h5-10,24H,11-12H2,1-4H3,(H,22,23)
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| InChIKey |
WALVRCBHGXEOLQ-UHFFFAOYSA-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