General Information of the Compound
| Compound ID |
CP0477977
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| Compound Name |
2-[4-[2-hydroxy-3-[4-(4-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]propyl]piperazin-1-yl]benzonitrile;hydrochloride
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| Structure |
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| Formula |
C25H30ClN5O4
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| Molecular Weight |
499.999
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| Canonical SMILES |
Cl.COc1ccc(cc1)C1(C)NC(=O)N(CC(O)CN2CCN(CC2)c2ccccc2C#N)C1=O
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| InChI |
InChI=1S/C25H29N5O4.ClH/c1-25(19-7-9-21(34-2)10-8-19)23(32)30(24(33)27-25)17-20(31)16-28-11-13-29(14-12-28)22-6-4-3-5-18(22)15-26;/h3-10,20,31H,11-14,16-17H2,1-2H3,(H,27,33);1H
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| InChIKey |
RKJCOBOHNHRAJW-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
Protein ID: PT01005, D(2) dopamine receptor