General Information of the Compound
| Compound ID |
CP0399511
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| Compound Name |
N-[4-[4-[2-tert-butyl-6-(trifluoromethyl)pyrimidin-4-yl]piperazin-1-yl]butyl]thieno[2,3-b]pyridine-2-carboxamide
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| Structure |
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| Formula |
C25H31F3N6OS
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| Molecular Weight |
520.625
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| Canonical SMILES |
CC(C)(C)c1nc(cc(n1)C(F)(F)F)N1CCN(CCCCNC(=O)c2cc3cccnc3s2)CC1
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| InChI |
InChI=1S/C25H31F3N6OS/c1-24(2,3)23-31-19(25(26,27)28)16-20(32-23)34-13-11-33(12-14-34)10-5-4-8-29-21(35)18-15-17-7-6-9-30-22(17)36-18/h6-7,9,15-16H,4-5,8,10-14H2,1-3H3,(H,29,35)
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| InChIKey |
NOWHSPBMDLMCKJ-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