General Information of the Compound
| Compound ID |
CP0479549
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| Compound Name |
6-fluoro-1'-[5-(methoxymethyl)-4-(6-methoxypyridin-3-yl)-1,2,4-triazol-3-yl]spiro[1H-2-benzofuran-3,3'-azetidine]
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| Structure |
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| Formula |
C20H20FN5O3
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| Molecular Weight |
397.41
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| Canonical SMILES |
COCc1nnc(N2CC3(C2)OCc2cc(F)ccc32)n1-c1ccc(OC)nc1
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| InChI |
InChI=1S/C20H20FN5O3/c1-27-10-17-23-24-19(26(17)15-4-6-18(28-2)22-8-15)25-11-20(12-25)16-5-3-14(21)7-13(16)9-29-20/h3-8H,9-12H2,1-2H3
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| InChIKey |
VYZFLADYPWMVSN-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