General Information of the Compound
| Compound ID |
CP0862676
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| Compound Name |
2-(4-fluorophenyl)-9-(methylsulfonyl)-3-(1H-tetrazol-5-yl)-6,7,8,9-tetrahydro-5H-benzofuro[6,5-b]azepine
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| Structure |
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| Formula |
C20H18FN5O3S
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| Molecular Weight |
427.461
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| Canonical SMILES |
CS(=O)(=O)N1CCCCc2cc3c(-c4nnn[nH]4)c(-c4ccc(F)cc4)oc3cc21
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| InChI |
InChI=1S/C20H18FN5O3S/c1-30(27,28)26-9-3-2-4-13-10-15-17(11-16(13)26)29-19(12-5-7-14(21)8-6-12)18(15)20-22-24-25-23-20/h5-8,10-11H,2-4,9H2,1H3,(H,22,23,24,25)
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| InChIKey |
HBYNVROWDDBBEU-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