General Information of the Compound
| Compound ID |
CP0425930
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| Compound Name |
N-[4-[4-(2-tert-butyl-6-cyclopropylpyrimidin-4-yl)piperazin-1-yl]butyl]imidazo[1,2-a]pyridine-2-carboxamide
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| Structure |
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| Formula |
C27H37N7O
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| Molecular Weight |
475.641
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| Canonical SMILES |
CC(C)(C)c1nc(cc(n1)N1CCN(CCCCNC(=O)c2cn3ccccc3n2)CC1)C1CC1
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| InChI |
InChI=1S/C27H37N7O/c1-27(2,3)26-30-21(20-9-10-20)18-24(31-26)33-16-14-32(15-17-33)12-7-5-11-28-25(35)22-19-34-13-6-4-8-23(34)29-22/h4,6,8,13,18-20H,5,7,9-12,14-17H2,1-3H3,(H,28,35)
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| InChIKey |
QSQIAXNZWRLSSO-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