General Information of the Compound
| Compound ID |
CP0512458
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| Compound Name |
tert-butyl 4-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butanoylamino]benzoate;hydrochloride
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| Formula |
C26H36ClN3O4
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| Molecular Weight |
490.044
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| Canonical SMILES |
Cl.COc1ccccc1N1CCN(CCCC(=O)Nc2ccc(cc2)C(=O)OC(C)(C)C)CC1
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| InChI |
InChI=1S/C26H35N3O4.ClH/c1-26(2,3)33-25(31)20-11-13-21(14-12-20)27-24(30)10-7-15-28-16-18-29(19-17-28)22-8-5-6-9-23(22)32-4;/h5-6,8-9,11-14H,7,10,15-19H2,1-4H3,(H,27,30);1H
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| InChIKey |
NLZRWWKHTCAJCZ-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