General Information of the Compound
| Compound ID |
CP0015231
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| Compound Name |
(1,1-dioxothian-4-yl)-[2-[[3-(4-fluorophenyl)-5-methyl-1,2-oxazol-4-yl]methoxy]-7,8-dihydro-5H-1,6-naphthyridin-6-yl]methanone
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| Structure |
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| Formula |
C25H26FN3O5S
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| Molecular Weight |
499.564
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| Canonical SMILES |
Cc1onc(c1COc1ccc2CN(CCc2n1)C(=O)C1CCS(=O)(=O)CC1)-c1ccc(F)cc1
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| InChI |
InChI=1S/C25H26FN3O5S/c1-16-21(24(28-34-16)17-2-5-20(26)6-3-17)15-33-23-7-4-19-14-29(11-8-22(19)27-23)25(30)18-9-12-35(31,32)13-10-18/h2-7,18H,8-15H2,1H3
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| InChIKey |
DDRXKTPRVSLWJP-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