General Information of the Compound
| Compound ID |
CP0467904
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| Compound Name |
1-(4-chlorophenyl)-4-[(2R)-2-methyl-3-phenoxypropoxy]pyridin-2-one
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| Structure |
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| Formula |
C21H20ClNO3
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| Molecular Weight |
369.848
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| Canonical SMILES |
C[C@H](COc1ccccc1)COc1ccn(-c2ccc(Cl)cc2)c(=O)c1
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| InChI |
InChI=1S/C21H20ClNO3/c1-16(14-25-19-5-3-2-4-6-19)15-26-20-11-12-23(21(24)13-20)18-9-7-17(22)8-10-18/h2-13,16H,14-15H2,1H3/t16-/m1/s1
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| InChIKey |
GDFQLBDJZAKUPU-MRXNPFEDSA-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