General Information of the Compound
| Compound ID |
CP0438121
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| Compound Name |
1-[4-fluoro-N-[(3-methoxyphenyl)methyl]anilino]-3-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]urea
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| Structure |
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| Formula |
C29H36FN5O3
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| Molecular Weight |
521.637
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| Canonical SMILES |
COc1cccc(CN(NC(=O)NCCCN2CCN(CC2)c2ccccc2OC)c2ccc(F)cc2)c1
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| InChI |
InChI=1S/C29H36FN5O3/c1-37-26-8-5-7-23(21-26)22-35(25-13-11-24(30)12-14-25)32-29(36)31-15-6-16-33-17-19-34(20-18-33)27-9-3-4-10-28(27)38-2/h3-5,7-14,21H,6,15-20,22H2,1-2H3,(H2,31,32,36)
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| InChIKey |
LNBKOOVQBZWETK-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