General Information of the Compound
| Compound ID |
CP0450648
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| Compound Name |
4-(3-chloro-4-methoxyphenyl)-1-(3-methylbutyl)-2-oxopyridine-3-carbonitrile
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| Structure |
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| Formula |
C18H19ClN2O2
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| Molecular Weight |
330.815
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| Canonical SMILES |
COc1ccc(cc1Cl)-c1ccn(CCC(C)C)c(=O)c1C#N
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| InChI |
InChI=1S/C18H19ClN2O2/c1-12(2)6-8-21-9-7-14(15(11-20)18(21)22)13-4-5-17(23-3)16(19)10-13/h4-5,7,9-10,12H,6,8H2,1-3H3
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| InChIKey |
VXDVOGLLONZOFR-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