General Information of the Compound
Compound ID |
CP0886062
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Compound Name |
3-[4-(4-Aminophenyl)piperazin-1-yl]-1-benzo[b]thiophen-3-yl-propan-1-one
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Structure |
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Formula |
C21H23N3OS
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Molecular Weight |
365.502
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Canonical SMILES |
Nc1ccc(N2CCN(CCC(=O)c3csc4ccccc34)CC2)cc1
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InChI |
InChI=1S/C21H23N3OS/c22-16-5-7-17(8-6-16)24-13-11-23(12-14-24)10-9-20(25)19-15-26-21-4-2-1-3-18(19)21/h1-8,15H,9-14,22H2
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InChIKey |
XRFFCWCDPLMTBD-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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ChEMBL ID |
Map of Molecular Bioactivity Related to the Compound
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