General Information of the Compound
| Compound ID |
CP0400253
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| Compound Name |
N-[4-[4-[2-tert-butyl-6-(trifluoromethyl)pyrimidin-4-yl]piperazin-1-yl]butyl]-3-[(dimethylamino)methyl]imidazo[1,2-a]pyridine-2-carboxamide
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| Structure |
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| Formula |
C28H39F3N8O
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| Molecular Weight |
560.669
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| Canonical SMILES |
CN(C)Cc1c(nc2ccccn12)C(=O)NCCCCN1CCN(CC1)c1cc(nc(n1)C(C)(C)C)C(F)(F)F
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| InChI |
InChI=1S/C28H39F3N8O/c1-27(2,3)26-33-21(28(29,30)31)18-23(35-26)38-16-14-37(15-17-38)12-9-7-11-32-25(40)24-20(19-36(4)5)39-13-8-6-10-22(39)34-24/h6,8,10,13,18H,7,9,11-12,14-17,19H2,1-5H3,(H,32,40)
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| InChIKey |
WMXFRQFMQHQCBJ-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