General Information of the Compound
| Compound ID |
CP0487811
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| Compound Name |
1-(2,4-difluorophenyl)-5-(4,5-dihydrothieno[3,2-d][1]benzoxepin-2-yl)-1,2,4-triazole
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| Structure |
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| Formula |
C20H13F2N3OS
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| Molecular Weight |
381.407
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| Canonical SMILES |
Fc1ccc(c(F)c1)-n1ncnc1-c1cc2CCOc3ccccc3-c2s1
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| InChI |
InChI=1S/C20H13F2N3OS/c21-13-5-6-16(15(22)10-13)25-20(23-11-24-25)18-9-12-7-8-26-17-4-2-1-3-14(17)19(12)27-18/h1-6,9-11H,7-8H2
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| InChIKey |
QLOARIPJKPDUBO-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