General Information of the Compound
| Compound ID |
CP0510771
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| Compound Name |
4-[(4-chlorophenyl)methylamino]-6-methyl-1-(3-methylbutyl)pyridin-2-one
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| Structure |
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| Formula |
C18H23ClN2O
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| Molecular Weight |
318.848
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| Canonical SMILES |
CC(C)CCn1c(C)cc(NCc2ccc(Cl)cc2)cc1=O
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| InChI |
InChI=1S/C18H23ClN2O/c1-13(2)8-9-21-14(3)10-17(11-18(21)22)20-12-15-4-6-16(19)7-5-15/h4-7,10-11,13,20H,8-9,12H2,1-3H3
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| InChIKey |
RRNUULLTIVWPRD-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