General Information of the Compound
| Compound ID |
CP0416338
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| Compound Name |
1-(1-Benzyl-piperidin-4-yl)-3-isoquinolin-1-yl-urea
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| Structure |
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| Formula |
C22H24N4O
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| Molecular Weight |
360.461
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| Canonical SMILES |
O=C(NC1CCN(Cc2ccccc2)CC1)Nc1nccc2ccccc12
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| InChI |
InChI=1S/C22H24N4O/c27-22(25-21-20-9-5-4-8-18(20)10-13-23-21)24-19-11-14-26(15-12-19)16-17-6-2-1-3-7-17/h1-10,13,19H,11-12,14-16H2,(H2,23,24,25,27)
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| InChIKey |
FDQXLORJWMWFGU-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