General Information of the Compound
| Compound ID |
CP0014188
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| Compound Name |
[2-[[3-(4-fluorophenyl)-5-methyl-1,2-oxazol-4-yl]methoxy]-7,8-dihydro-5H-1,6-naphthyridin-6-yl]-piperidin-1-ylmethanone
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| Structure |
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| Formula |
C25H27FN4O3
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| Molecular Weight |
450.514
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| Canonical SMILES |
Cc1onc(c1COc1ccc2CN(CCc2n1)C(=O)N1CCCCC1)-c1ccc(F)cc1
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| InChI |
InChI=1S/C25H27FN4O3/c1-17-21(24(28-33-17)18-5-8-20(26)9-6-18)16-32-23-10-7-19-15-30(14-11-22(19)27-23)25(31)29-12-3-2-4-13-29/h5-10H,2-4,11-16H2,1H3
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| InChIKey |
VUEKKKDGNCPLAN-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