General Information of the Compound
| Compound ID |
CP0567510
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| Compound Name |
tert-butyl 4-[6-[4-(2-methoxyphenyl)piperazin-1-yl]hexanoylamino]benzoate;hydrochloride
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| Formula |
C28H40ClN3O4
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| Molecular Weight |
518.098
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| Canonical SMILES |
Cl.COc1ccccc1N1CCN(CCCCCC(=O)Nc2ccc(cc2)C(=O)OC(C)(C)C)CC1
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| InChI |
InChI=1S/C28H39N3O4.ClH/c1-28(2,3)35-27(33)22-13-15-23(16-14-22)29-26(32)12-6-5-9-17-30-18-20-31(21-19-30)24-10-7-8-11-25(24)34-4;/h7-8,10-11,13-16H,5-6,9,12,17-21H2,1-4H3,(H,29,32);1H
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| InChIKey |
YFEPBICRLHIIDU-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