General Information of the Compound
| Compound ID |
CP0579109
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| Compound Name |
6-fluoro-1'-[5-(methoxymethyl)-4-(6-methoxypyridin-3-yl)-1,2,4-triazol-3-yl]spiro[3,4-dihydrochromene-2,3'-azetidine]
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| Structure |
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| Formula |
C21H22FN5O3
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| Molecular Weight |
411.437
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| Canonical SMILES |
COCc1nnc(N2CC3(C2)CCc2cc(F)ccc2O3)n1-c1ccc(OC)nc1
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| InChI |
InChI=1S/C21H22FN5O3/c1-28-11-18-24-25-20(27(18)16-4-6-19(29-2)23-10-16)26-12-21(13-26)8-7-14-9-15(22)3-5-17(14)30-21/h3-6,9-10H,7-8,11-13H2,1-2H3
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| InChIKey |
OYSAICPGWHSWLE-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