General Information of the Compound
| Compound ID |
CP0490098
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| Compound Name |
methyl 3-[5-(4-phenylpiperazin-1-yl)pentanoylamino]thiophene-2-carboxylate
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| Structure |
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| Formula |
C21H27N3O3S
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| Molecular Weight |
401.532
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| Canonical SMILES |
COC(=O)c1sccc1NC(=O)CCCCN1CCN(CC1)c1ccccc1
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| InChI |
InChI=1S/C21H27N3O3S/c1-27-21(26)20-18(10-16-28-20)22-19(25)9-5-6-11-23-12-14-24(15-13-23)17-7-3-2-4-8-17/h2-4,7-8,10,16H,5-6,9,11-15H2,1H3,(H,22,25)
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| InChIKey |
SEBQWZLFEJZSOL-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: PT00819, 5-hydroxytryptamine receptor 1A
Protein ID: PT00941, 5-hydroxytryptamine receptor 7