General Information of the Compound
| Compound ID |
CP0191883
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| Compound Name |
(R)-3-methyl-6-(2-methylpiperazin-1-yl)-2-((2-(trifluoromethyl)phenoxy)methyl)pyrimidin-4(3H)-one
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| Structure |
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| Formula |
C18H21F3N4O2
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| Molecular Weight |
382.386
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| Canonical SMILES |
C[C@@H]1CNCCN1c1cc(=O)n(C)c(COc2ccccc2C(F)(F)F)n1
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| InChI |
InChI=1S/C18H21F3N4O2/c1-12-10-22-7-8-25(12)15-9-17(26)24(2)16(23-15)11-27-14-6-4-3-5-13(14)18(19,20)21/h3-6,9,12,22H,7-8,10-11H2,1-2H3/t12-/m1/s1
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| InChIKey |
XIFVRPRCVBESLU-GFCCVEGCSA-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: PT01019, 5-hydroxytryptamine receptor 2B