General Information of the Compound
| Compound ID |
CP0482775
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| Compound Name |
1-[4-methoxy-N-(2-methylprop-2-enyl)anilino]-3-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]urea
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| Structure |
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| Formula |
C26H37N5O3
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| Molecular Weight |
467.614
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| Canonical SMILES |
COc1ccc(cc1)N(CC(C)=C)NC(=O)NCCCN1CCN(CC1)c1ccccc1OC
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| InChI |
InChI=1S/C26H37N5O3/c1-21(2)20-31(22-10-12-23(33-3)13-11-22)28-26(32)27-14-7-15-29-16-18-30(19-17-29)24-8-5-6-9-25(24)34-4/h5-6,8-13H,1,7,14-20H2,2-4H3,(H2,27,28,32)
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| InChIKey |
DOOIOZMDLUKTNX-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