General Information of the Compound
| Compound ID |
CP0386821
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| Compound Name |
N-[4-[4-[6-methyl-2-(trifluoromethyl)pyrimidin-4-yl]piperazin-1-yl]butyl]imidazo[1,2-a]pyridine-2-carboxamide
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| Structure |
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| Formula |
C22H26F3N7O
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| Molecular Weight |
461.492
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| Canonical SMILES |
Cc1cc(nc(n1)C(F)(F)F)N1CCN(CCCCNC(=O)c2cn3ccccc3n2)CC1
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| InChI |
InChI=1S/C22H26F3N7O/c1-16-14-19(29-21(27-16)22(23,24)25)31-12-10-30(11-13-31)8-5-3-7-26-20(33)17-15-32-9-4-2-6-18(32)28-17/h2,4,6,9,14-15H,3,5,7-8,10-13H2,1H3,(H,26,33)
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| InChIKey |
BHMLBWLDIQFCIS-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