General Information of the Compound
| Compound ID |
CP0388043
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| Compound Name |
(3Z)-3-[2-oxo-2-[3-(trifluoromethyl)phenyl]ethylidene]-2,6,7,11b-tetrahydro-1H-pyrazino[2,1-a]isoquinolin-4-one
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| Structure |
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| Formula |
C21H17F3N2O2
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| Molecular Weight |
386.373
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| Canonical SMILES |
FC(F)(F)c1cccc(c1)C(=O)\C=C1/NCC2N(CCc3ccccc23)C1=O
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| InChI |
InChI=1S/C21H17F3N2O2/c22-21(23,24)15-6-3-5-14(10-15)19(27)11-17-20(28)26-9-8-13-4-1-2-7-16(13)18(26)12-25-17/h1-7,10-11,18,25H,8-9,12H2/b17-11-
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| InChIKey |
NTTPDUVJFIJBNS-BOPFTXTBSA-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