General Information of the Compound
| Compound ID |
CP0962521
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| Compound Name |
4-(Cyclohexyl(methyl)amino)-1-(2,4,6-trihydroxyphenyl)butan-1-one Hydrochlorate
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| Structure |
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| Formula |
C17H26ClNO4
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| Molecular Weight |
343.851
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| Canonical SMILES |
CN(CCCC(=O)c1c(O)cc(O)cc1O)C1CCCCC1.Cl
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| InChI |
InChI=1S/C17H25NO4.ClH/c1-18(12-6-3-2-4-7-12)9-5-8-14(20)17-15(21)10-13(19)11-16(17)22;/h10-12,19,21-22H,2-9H2,1H3;1H
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| InChIKey |
WONAOJWMMUUTKG-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