General Information of the Compound
| Compound ID |
CP0444355
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| Compound Name |
2-(4-fluorophenyl)-3-(1H-imidazol-2-yl)-9-methylsulfonyl-5,6,7,8-tetrahydrofuro[3,2-h][1]benzazepine
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| Structure |
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| Formula |
C22H20FN3O3S
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| Molecular Weight |
425.485
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| Canonical SMILES |
CS(=O)(=O)N1CCCCc2cc3c(-c4ncc[nH]4)c(oc3cc12)-c1ccc(F)cc1
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| InChI |
InChI=1S/C22H20FN3O3S/c1-30(27,28)26-11-3-2-4-15-12-17-19(13-18(15)26)29-21(14-5-7-16(23)8-6-14)20(17)22-24-9-10-25-22/h5-10,12-13H,2-4,11H2,1H3,(H,24,25)
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| InChIKey |
DQOFLXZWNXCCMA-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
Protein ID: PT00149, Nonstructural protein 5A
Protein ID: PT00013, RNA-directed RNA polymerase