General Information of the Compound
| Compound ID |
CP0536406
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| Compound Name |
1-[4-fluoro-N-[(3-fluorophenyl)methyl]anilino]-3-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]urea
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| Structure |
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| Formula |
C28H33F2N5O2
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| Molecular Weight |
509.601
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| Canonical SMILES |
COc1ccccc1N1CCN(CCCNC(=O)NN(Cc2cccc(F)c2)c2ccc(F)cc2)CC1
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| InChI |
InChI=1S/C28H33F2N5O2/c1-37-27-9-3-2-8-26(27)34-18-16-33(17-19-34)15-5-14-31-28(36)32-35(25-12-10-23(29)11-13-25)21-22-6-4-7-24(30)20-22/h2-4,6-13,20H,5,14-19,21H2,1H3,(H2,31,32,36)
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| InChIKey |
TWCRFNBRBHKABU-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