General Information of the Compound
| Compound ID |
CP0852963
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| Compound Name |
3-{3-[4-(Diphenylmethyl)piperazin-1-yl]-2-hydroxypropyl}-5-methyl-5-(naphthalen-1-yl)imidazolidine-2,4-dione
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| Structure |
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| Formula |
C34H36N4O3
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| Molecular Weight |
548.687
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| Canonical SMILES |
CC1(c2cccc3ccccc23)NC(=O)N(CC(O)CN2CCN(C(c3ccccc3)c3ccccc3)CC2)C1=O
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| InChI |
InChI=1S/C34H36N4O3/c1-34(30-18-10-16-25-11-8-9-17-29(25)30)32(40)38(33(41)35-34)24-28(39)23-36-19-21-37(22-20-36)31(26-12-4-2-5-13-26)27-14-6-3-7-15-27/h2-18,28,31,39H,19-24H2,1H3,(H,35,41)
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| InChIKey |
NTSNTXLPUHHDIH-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: PT00941, 5-hydroxytryptamine receptor 7
Protein ID: PT01005, D(2) dopamine receptor