General Information of the Compound
| Compound ID |
CP0492698
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| Compound Name |
N-[3-[4-(4-chlorophenyl)piperazin-1-yl]propyl]-1-benzothiophene-2-carboxamide
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| Structure |
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| Formula |
C22H24ClN3OS
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| Molecular Weight |
413.974
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| Canonical SMILES |
Clc1ccc(cc1)N1CCN(CCCNC(=O)c2cc3ccccc3s2)CC1
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| InChI |
InChI=1S/C22H24ClN3OS/c23-18-6-8-19(9-7-18)26-14-12-25(13-15-26)11-3-10-24-22(27)21-16-17-4-1-2-5-20(17)28-21/h1-2,4-9,16H,3,10-15H2,(H,24,27)
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| InChIKey |
YULOYCPWASTKEV-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
Protein ID: PT01026, Sodium-dependent noradrenaline transporter
Protein ID: PT00871, Sodium-dependent serotonin transporter