General Information of the Compound
| Compound ID |
CP0408616
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| Compound Name |
N-[4-[4-[2-tert-butyl-6-(trifluoromethyl)pyrimidin-4-yl]piperazin-1-yl]butyl]-1-benzothiophene-2-carboxamide
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| Structure |
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| Formula |
C26H32F3N5OS
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| Molecular Weight |
519.637
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| Canonical SMILES |
CC(C)(C)c1nc(cc(n1)C(F)(F)F)N1CCN(CCCCNC(=O)c2cc3ccccc3s2)CC1
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| InChI |
InChI=1S/C26H32F3N5OS/c1-25(2,3)24-31-21(26(27,28)29)17-22(32-24)34-14-12-33(13-15-34)11-7-6-10-30-23(35)20-16-18-8-4-5-9-19(18)36-20/h4-5,8-9,16-17H,6-7,10-15H2,1-3H3,(H,30,35)
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| InChIKey |
XTFNKHQCBITNPG-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: PT00825, 5-hydroxytryptamine receptor 2A
Protein ID: PT01195, D(1A) dopamine receptor
Protein ID: PT01169, D(1B) dopamine receptor
Protein ID: PT01005, D(2) dopamine receptor
Protein ID: PT00943, D(3) dopamine receptor
Protein ID: PT01161, D(4) dopamine receptor