General Information of the Compound
| Compound ID |
CP0903836
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| Compound Name |
1-(5-Fluorobenzo[b]thiophen-3-yl)-3-[1-(4-nitrophenyl)piperidin-4-ylamino]propan-1-one
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| Structure |
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| Formula |
C22H22FN3O3S
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| Molecular Weight |
427.501
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| Canonical SMILES |
O=C(CCNC1CCN(c2ccc([N+](=O)[O-])cc2)CC1)c1csc2ccc(F)cc12
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| InChI |
InChI=1S/C22H22FN3O3S/c23-15-1-6-22-19(13-15)20(14-30-22)21(27)7-10-24-16-8-11-25(12-9-16)17-2-4-18(5-3-17)26(28)29/h1-6,13-14,16,24H,7-12H2
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| InChIKey |
JONRWJRFWOPBMP-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