General Information of the Compound
| Compound ID |
CP0482017
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| Compound Name |
N-[4-[4-(6-tert-butyl-2-methylpyrimidin-4-yl)piperazin-1-yl]butyl]imidazo[1,2-a]pyridine-2-carboxamide
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| Structure |
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| Formula |
C25H35N7O
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| Molecular Weight |
449.603
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| Canonical SMILES |
Cc1nc(cc(n1)C(C)(C)C)N1CCN(CCCCNC(=O)c2cn3ccccc3n2)CC1
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| InChI |
InChI=1S/C25H35N7O/c1-19-27-21(25(2,3)4)17-23(28-19)31-15-13-30(14-16-31)11-8-6-10-26-24(33)20-18-32-12-7-5-9-22(32)29-20/h5,7,9,12,17-18H,6,8,10-11,13-16H2,1-4H3,(H,26,33)
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| InChIKey |
MQWDTDMXDZXQGS-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