General Information of the Compound
| Compound ID |
CP0921012
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| Compound Name |
1-(5-Fluorobenzo[b]thiophen-3-yl)-3-[4-(4-nitrophenyl)piperazin-1-yl]propan-1-one
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| Structure |
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| Formula |
C21H20FN3O3S
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| Molecular Weight |
413.474
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| Canonical SMILES |
O=C(CCN1CCN(c2ccc([N+](=O)[O-])cc2)CC1)c1csc2ccc(F)cc12
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| InChI |
InChI=1S/C21H20FN3O3S/c22-15-1-6-21-18(13-15)19(14-29-21)20(26)7-8-23-9-11-24(12-10-23)16-2-4-17(5-3-16)25(27)28/h1-6,13-14H,7-12H2
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| InChIKey |
JHDXCMZBAOMJEI-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