General Information of the Compound
| Compound ID |
CP0481803
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| Compound Name |
1-[N-[(4-fluorophenyl)methyl]anilino]-3-[3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]urea
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| Structure |
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| Formula |
C25H30FN7O
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| Molecular Weight |
463.561
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| Canonical SMILES |
Fc1ccc(CN(NC(=O)NCCCN2CCN(CC2)c2ncccn2)c2ccccc2)cc1
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| InChI |
InChI=1S/C25H30FN7O/c26-22-10-8-21(9-11-22)20-33(23-6-2-1-3-7-23)30-25(34)29-14-5-15-31-16-18-32(19-17-31)24-27-12-4-13-28-24/h1-4,6-13H,5,14-20H2,(H2,29,30,34)
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| InChIKey |
YFIRTELZAMWIHL-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