General Information of the Compound
| Compound ID |
CP0438119
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| Compound Name |
1-[N-[(4-cyanophenyl)methyl]-4-methoxyanilino]-3-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]urea
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| Structure |
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| Formula |
C30H36N6O3
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| Molecular Weight |
528.657
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| Canonical SMILES |
COc1ccc(cc1)N(Cc1ccc(cc1)C#N)NC(=O)NCCCN1CCN(CC1)c1ccccc1OC
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| InChI |
InChI=1S/C30H36N6O3/c1-38-27-14-12-26(13-15-27)36(23-25-10-8-24(22-31)9-11-25)33-30(37)32-16-5-17-34-18-20-35(21-19-34)28-6-3-4-7-29(28)39-2/h3-4,6-15H,5,16-21,23H2,1-2H3,(H2,32,33,37)
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| InChIKey |
UKQKMANJPPZVEW-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