General Information of the Compound
| Compound ID |
CP0536409
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| Compound Name |
1-[3-[4-(4-chlorophenyl)piperazin-1-yl]propyl]-3-[N-[(4-fluorophenyl)methyl]anilino]urea
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| Structure |
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| Formula |
C27H31ClFN5O
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| Molecular Weight |
496.03
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| Canonical SMILES |
Fc1ccc(CN(NC(=O)NCCCN2CCN(CC2)c2ccc(Cl)cc2)c2ccccc2)cc1
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| InChI |
InChI=1S/C27H31ClFN5O/c28-23-9-13-25(14-10-23)33-19-17-32(18-20-33)16-4-15-30-27(35)31-34(26-5-2-1-3-6-26)21-22-7-11-24(29)12-8-22/h1-3,5-14H,4,15-21H2,(H2,30,31,35)
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| InChIKey |
ADKPDCJUAOTYGJ-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