General Information of the Compound
| Compound ID |
CP0550959
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| Compound Name |
1-(N-benzyl-2,4-dichloroanilino)-3-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]urea
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| Structure |
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| Formula |
C28H33Cl2N5O2
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| Molecular Weight |
542.511
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| Canonical SMILES |
COc1ccccc1N1CCN(CCCNC(=O)NN(Cc2ccccc2)c2ccc(Cl)cc2Cl)CC1
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| InChI |
InChI=1S/C28H33Cl2N5O2/c1-37-27-11-6-5-10-26(27)34-18-16-33(17-19-34)15-7-14-31-28(36)32-35(21-22-8-3-2-4-9-22)25-13-12-23(29)20-24(25)30/h2-6,8-13,20H,7,14-19,21H2,1H3,(H2,31,32,36)
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| InChIKey |
RUGZUJWEVYDLKD-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