General Information of the Compound
| Compound ID |
CP0189379
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| Compound Name |
3-benzyl-10-ethyl-8-(trifluoromethyl)-2H-pyrazino[1,2-a]indol-1-one
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| Structure |
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| Formula |
C21H17F3N2O
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| Molecular Weight |
370.374
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| Canonical SMILES |
CCc1c2cc(ccc2n2cc(Cc3ccccc3)[nH]c(=O)c12)C(F)(F)F
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| InChI |
InChI=1S/C21H17F3N2O/c1-2-16-17-11-14(21(22,23)24)8-9-18(17)26-12-15(25-20(27)19(16)26)10-13-6-4-3-5-7-13/h3-9,11-12H,2,10H2,1H3,(H,25,27)
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| InChIKey |
PRCMEBOIYCUAHP-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