General Information of the Compound
| Compound ID |
CP0550960
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| Compound Name |
1-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]-3-(4-methoxy-N-prop-2-enylanilino)urea
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| Structure |
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| Formula |
C25H35N5O3
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| Molecular Weight |
453.587
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| Canonical SMILES |
COc1ccc(cc1)N(CC=C)NC(=O)NCCCN1CCN(CC1)c1ccccc1OC
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| InChI |
InChI=1S/C25H35N5O3/c1-4-15-30(21-10-12-22(32-2)13-11-21)27-25(31)26-14-7-16-28-17-19-29(20-18-28)23-8-5-6-9-24(23)33-3/h4-6,8-13H,1,7,14-20H2,2-3H3,(H2,26,27,31)
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| InChIKey |
KSKYFMKUEDYOIZ-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