General Information of the Compound
| Compound ID |
CP0528966
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| Compound Name |
1-(N-benzylanilino)-3-[2-[4-(4-bromophenyl)piperazin-1-yl]ethyl]urea
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| Structure |
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| Formula |
C26H30BrN5O
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| Molecular Weight |
508.464
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| Canonical SMILES |
Brc1ccc(cc1)N1CCN(CCNC(=O)NN(Cc2ccccc2)c2ccccc2)CC1
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| InChI |
InChI=1S/C26H30BrN5O/c27-23-11-13-24(14-12-23)31-19-17-30(18-20-31)16-15-28-26(33)29-32(25-9-5-2-6-10-25)21-22-7-3-1-4-8-22/h1-14H,15-21H2,(H2,28,29,33)
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| InChIKey |
JAKWNDCWFUEYHH-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