General Information of the Compound
| Compound ID |
CP0414849
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| Compound Name |
1-Benzyl-3-(1-benzyl-piperidin-4-yl)-urea
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| Structure |
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| Formula |
C20H25N3O
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| Molecular Weight |
323.44
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| Canonical SMILES |
O=C(NCc1ccccc1)NC1CCN(Cc2ccccc2)CC1
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| InChI |
InChI=1S/C20H25N3O/c24-20(21-15-17-7-3-1-4-8-17)22-19-11-13-23(14-12-19)16-18-9-5-2-6-10-18/h1-10,19H,11-16H2,(H2,21,22,24)
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| InChIKey |
SEMGUZQVJIXJHC-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: PT01005, D(2) dopamine receptor
Protein ID: PT00943, D(3) dopamine receptor
Protein ID: PT01161, D(4) dopamine receptor