General Information of the Compound
| Compound ID |
CP0438115
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| Compound Name |
1-(N-benzylanilino)-3-[3-[4-(4-bromophenyl)piperazin-1-yl]propyl]urea
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| Structure |
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| Formula |
C27H32BrN5O
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| Molecular Weight |
522.491
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| Canonical SMILES |
Brc1ccc(cc1)N1CCN(CCCNC(=O)NN(Cc2ccccc2)c2ccccc2)CC1
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| InChI |
InChI=1S/C27H32BrN5O/c28-24-12-14-25(15-13-24)32-20-18-31(19-21-32)17-7-16-29-27(34)30-33(26-10-5-2-6-11-26)22-23-8-3-1-4-9-23/h1-6,8-15H,7,16-22H2,(H2,29,30,34)
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| InChIKey |
AIFZEYXRSJHTOL-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