General Information of the Compound
| Compound ID |
CP0012665
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| Compound Name |
2-[[3-(4-fluorophenyl)-5-methyltriazol-4-yl]methoxy]-N-(oxolan-3-yl)-7,8-dihydro-5H-1,6-naphthyridine-6-carboxamide
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| Structure |
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| Formula |
C23H25FN6O3
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| Molecular Weight |
452.49
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| Canonical SMILES |
Cc1nnn(c1COc1ccc2CN(CCc2n1)C(=O)NC1CCOC1)-c1ccc(F)cc1
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| InChI |
InChI=1S/C23H25FN6O3/c1-15-21(30(28-27-15)19-5-3-17(24)4-6-19)14-33-22-7-2-16-12-29(10-8-20(16)26-22)23(31)25-18-9-11-32-13-18/h2-7,18H,8-14H2,1H3,(H,25,31)
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| InChIKey |
BFBQNXDBCFYSQA-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