General Information of the Compound
| Compound ID |
CP0439697
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| Compound Name |
1-Oxo-1,2-dihydro-6H-pyrrolo[3,2,1-de]acridine-2-carboxylic acid (5-trifluoromethyl-[1,3,4]thiadiazol-2-yl)-amide
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| Structure |
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| Formula |
C19H11F3N4O2S
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| Molecular Weight |
416.384
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| Canonical SMILES |
FC(F)(F)c1nnc(NC(=O)C2C(=O)N3c4c2cccc4Cc2ccccc32)s1
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| InChI |
InChI=1S/C19H11F3N4O2S/c20-19(21,22)17-24-25-18(29-17)23-15(27)13-11-6-3-5-10-8-9-4-1-2-7-12(9)26(14(10)11)16(13)28/h1-7,13H,8H2,(H,23,25,27)
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| InChIKey |
SWOXJENNAWKFCO-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