General Information of the Compound
| Compound ID |
CP0536912
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| Compound Name |
1-(N-benzylanilino)-3-[3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]urea
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| Structure |
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| Formula |
C25H31N7O
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| Molecular Weight |
445.571
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| Canonical SMILES |
O=C(NCCCN1CCN(CC1)c1ncccn1)NN(Cc1ccccc1)c1ccccc1
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| InChI |
InChI=1S/C25H31N7O/c33-25(29-32(23-11-5-2-6-12-23)21-22-9-3-1-4-10-22)28-15-8-16-30-17-19-31(20-18-30)24-26-13-7-14-27-24/h1-7,9-14H,8,15-21H2,(H2,28,29,33)
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| InChIKey |
BYXRGRXAPMVBBG-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