General Information of the Compound
| Compound ID |
CP0498298
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| Compound Name |
8-Fluoro-1-oxo-1,2-dihydro-6H-pyrrolo[3,2,1-de]acridine-2-carboxylic acid (3-phenyl-[1,2,4]thiadiazol-5-yl)-amide
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| Structure |
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| Formula |
C24H15FN4O2S
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| Molecular Weight |
442.475
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| Canonical SMILES |
Fc1ccc2N3C(=O)C(C(=O)Nc4nc(ns4)-c4ccccc4)c4cccc(Cc2c1)c34
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| InChI |
InChI=1S/C24H15FN4O2S/c25-16-9-10-18-15(12-16)11-14-7-4-8-17-19(23(31)29(18)20(14)17)22(30)27-24-26-21(28-32-24)13-5-2-1-3-6-13/h1-10,12,19H,11H2,(H,26,27,28,30)
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| InChIKey |
UMKXKBIIWWXELN-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