General Information of the Compound
| Compound ID |
CP0422900
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| Compound Name |
2-(4-fluorophenyl)-9-methylsulfonyl-5,6,7,8-tetrahydrofuro[3,2-h][1]benzazepine-3-carboxamide
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| Structure |
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| Formula |
C20H19FN2O4S
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| Molecular Weight |
402.447
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| Canonical SMILES |
CS(=O)(=O)N1CCCCc2cc3c(C(N)=O)c(oc3cc12)-c1ccc(F)cc1
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| InChI |
InChI=1S/C20H19FN2O4S/c1-28(25,26)23-9-3-2-4-13-10-15-17(11-16(13)23)27-19(18(15)20(22)24)12-5-7-14(21)8-6-12/h5-8,10-11H,2-4,9H2,1H3,(H2,22,24)
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| InChIKey |
QOQBSLZONWNAKX-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