General Information of the Compound
| Compound ID |
CP0525082
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| Compound Name |
N-[[4-(3-ethylphenyl)phenyl]methyl]-4-(1,8-naphthyridin-2-yl)butanamide
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| Structure |
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| Formula |
C27H27N3O
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| Molecular Weight |
409.533
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| Canonical SMILES |
CCc1cccc(c1)-c1ccc(CNC(=O)CCCc2ccc3cccnc3n2)cc1
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| InChI |
InChI=1S/C27H27N3O/c1-2-20-6-3-7-24(18-20)22-13-11-21(12-14-22)19-29-26(31)10-4-9-25-16-15-23-8-5-17-28-27(23)30-25/h3,5-8,11-18H,2,4,9-10,19H2,1H3,(H,29,31)
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| InChIKey |
FKUWIZCOCSEJIY-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