General Information of the Compound
| Compound ID |
CP0405775
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| Compound Name |
(R)-9-ethynyl-1,3,4,10b-tetrahydro-7-trifluoromethylpyrazino-[2,1-a]isoindol-6(2H)-one
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| Structure |
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| Formula |
C14H11F3N2O
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| Molecular Weight |
280.249
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| Canonical SMILES |
FC(F)(F)c1cc(cc2[C@@H]3CNCCN3C(=O)c12)C#C
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| InChI |
InChI=1S/C14H11F3N2O/c1-2-8-5-9-11-7-18-3-4-19(11)13(20)12(9)10(6-8)14(15,16)17/h1,5-6,11,18H,3-4,7H2/t11-/m0/s1
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| InChIKey |
NJEJBZZKHLSYTJ-NSHDSACASA-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
Protein ID: PT00939, 5-hydroxytryptamine receptor 2C