General Information of the Compound
| Compound ID |
CP0476109
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| Compound Name |
2-[4-[3-[4-(4-chlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-2-hydroxypropyl]piperazin-1-yl]benzonitrile;hydrochloride
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| Structure |
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| Formula |
C24H27Cl2N5O3
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| Molecular Weight |
504.418
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| Canonical SMILES |
Cl.CC1(NC(=O)N(CC(O)CN2CCN(CC2)c2ccccc2C#N)C1=O)c1ccc(Cl)cc1
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| InChI |
InChI=1S/C24H26ClN5O3.ClH/c1-24(18-6-8-19(25)9-7-18)22(32)30(23(33)27-24)16-20(31)15-28-10-12-29(13-11-28)21-5-3-2-4-17(21)14-26;/h2-9,20,31H,10-13,15-16H2,1H3,(H,27,33);1H
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| InChIKey |
GKYUYTZDIJOGKR-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