General Information of the Compound
| Compound ID |
CP0013267
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| Compound Name |
4-[2-[[3-(4-fluorophenyl)-5-methyltriazol-4-yl]methoxy]-7,8-dihydro-5H-1,6-naphthyridine-6-carbonyl]-1-methylpyrrolidin-2-one
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| Structure |
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| Formula |
C24H25FN6O3
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| Molecular Weight |
464.501
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| Canonical SMILES |
CN1CC(CC1=O)C(=O)N1CCc2nc(OCc3c(C)nnn3-c3ccc(F)cc3)ccc2C1
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| InChI |
InChI=1S/C24H25FN6O3/c1-15-21(31(28-27-15)19-6-4-18(25)5-7-19)14-34-22-8-3-16-13-30(10-9-20(16)26-22)24(33)17-11-23(32)29(2)12-17/h3-8,17H,9-14H2,1-2H3
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| InChIKey |
CEPWICKCWXPROW-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