General Information of the Compound
| Compound ID |
CP0852965
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| Compound Name |
3-{2-Hydroxy-3-[4-(2-cyanophenyl)piperazin-1-yl]propyl}-5-methyl-5-(naphthalen-2-yl)imidazolidine-2,4-dione
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| Structure |
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| Formula |
C28H29N5O3
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| Molecular Weight |
483.572
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| Canonical SMILES |
CC1(c2ccc3ccccc3c2)NC(=O)N(CC(O)CN2CCN(c3ccccc3C#N)CC2)C1=O
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| InChI |
InChI=1S/C28H29N5O3/c1-28(23-11-10-20-6-2-3-7-21(20)16-23)26(35)33(27(36)30-28)19-24(34)18-31-12-14-32(15-13-31)25-9-5-4-8-22(25)17-29/h2-11,16,24,34H,12-15,18-19H2,1H3,(H,30,36)
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| InChIKey |
SYACUACTNAGKMI-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