General Information of the Compound
| Compound ID |
CP0914658
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| Compound Name |
1-(3-(Benzo[b]thiophen-3-yl)-3-(piperazin-1-yl)propyl)-4-benzyl-1,2,3,6-tetrahydropyridine
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| Structure |
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| Formula |
C27H33N3S
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| Molecular Weight |
431.649
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| Canonical SMILES |
C1=C(Cc2ccccc2)CCN(CCC(c2csc3ccccc23)N2CCNCC2)C1
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| InChI |
InChI=1S/C27H33N3S/c1-2-6-22(7-3-1)20-23-10-15-29(16-11-23)17-12-26(30-18-13-28-14-19-30)25-21-31-27-9-5-4-8-24(25)27/h1-10,21,26,28H,11-20H2
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| InChIKey |
MLGACOKYDQJTGD-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