General Information of the Compound
| Compound ID |
CP0012669
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| Compound Name |
2-[[3-(4-fluorophenyl)-5-methyltriazol-4-yl]methoxy]-6-(2-methylsulfonylethyl)-7,8-dihydro-1,6-naphthyridin-5-one
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| Structure |
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| Formula |
C21H22FN5O4S
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| Molecular Weight |
459.503
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| Canonical SMILES |
Cc1nnn(c1COc1ccc2C(=O)N(CCS(C)(=O)=O)CCc2n1)-c1ccc(F)cc1
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| InChI |
InChI=1S/C21H22FN5O4S/c1-14-19(27(25-24-14)16-5-3-15(22)4-6-16)13-31-20-8-7-17-18(23-20)9-10-26(21(17)28)11-12-32(2,29)30/h3-8H,9-13H2,1-2H3
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| InChIKey |
CRXLTFMRKJYPQQ-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