General Information of the Compound
| Compound ID |
CP0291619
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| Compound Name |
4-[4-(3-benzo[b]thiophen-3-yl-3-hydroxypropylamino)piperidin-1-yl]benzonitrile
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| Structure |
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| Formula |
C23H25N3OS
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| Molecular Weight |
391.54
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| Canonical SMILES |
OC(CCNC1CCN(CC1)c1ccc(cc1)C#N)c1csc2ccccc12
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| InChI |
InChI=1S/C23H25N3OS/c24-15-17-5-7-19(8-6-17)26-13-10-18(11-14-26)25-12-9-22(27)21-16-28-23-4-2-1-3-20(21)23/h1-8,16,18,22,25,27H,9-14H2
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| InChIKey |
BLZFUNSVSSNHRB-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