General Information of the Compound
| Compound ID |
CP0344716
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| Compound Name |
1-(1-benzothiophen-3-yl)-3-[4-(4-nitrophenyl)piperazin-1-yl]propan-1-one
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| Structure |
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| Formula |
C21H21N3O3S
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| Molecular Weight |
395.484
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| Canonical SMILES |
[O-][N+](=O)c1ccc(cc1)N1CCN(CCC(=O)c2csc3ccccc23)CC1
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| InChI |
InChI=1S/C21H21N3O3S/c25-20(19-15-28-21-4-2-1-3-18(19)21)9-10-22-11-13-23(14-12-22)16-5-7-17(8-6-16)24(26)27/h1-8,15H,9-14H2
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| InChIKey |
LNOWKAKOWCRFFS-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