General Information of the Compound
| Compound ID |
CP0382801
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| Compound Name |
3-benzyl-1-[5-[4-(3-methoxyphenyl)piperazin-1-yl]pentyl]-5,5-dimethylimidazolidine-2,4-dione;hydrochloride
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| Structure |
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| Formula |
C28H38N4O3
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| Molecular Weight |
478.637
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| Canonical SMILES |
COc1cccc(c1)N1CCN(CCCCCN2C(=O)N(Cc3ccccc3)C(=O)C2(C)C)CC1
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| InChI |
InChI=1S/C28H38N4O3.ClH/c1-28(2)26(33)31(22-23-11-6-4-7-12-23)27(34)32(28)16-9-5-8-15-29-17-19-30(20-18-29)24-13-10-14-25(21-24)35-3;/h4,6-7,10-14,21H,5,8-9,15-20,22H2,1-3H3;1H
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| InChIKey |
XIQRHPNQNNPLJX-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: PT01354, 5-hydroxytryptamine receptor 6
Protein ID: PT00941, 5-hydroxytryptamine receptor 7