General Information of the Compound
| Compound ID |
CP0509520
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| Compound Name |
4,8-Difluoro-1-oxo-1,2-dihydro-6H-pyrrolo[3,2,1-de]acridine-2-carboxylic acid (5-methyl-thiazol-2-yl)-amide
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| Structure |
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| Formula |
C20H13F2N3O2S
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| Molecular Weight |
397.406
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| Canonical SMILES |
Cc1cnc(NC(=O)C2C(=O)N3c4c2cc(F)cc4Cc2cc(F)ccc32)s1
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| InChI |
InChI=1S/C20H13F2N3O2S/c1-9-8-23-20(28-9)24-18(26)16-14-7-13(22)6-11-4-10-5-12(21)2-3-15(10)25(17(11)14)19(16)27/h2-3,5-8,16H,4H2,1H3,(H,23,24,26)
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| InChIKey |
SHHHLOJKQBMKAQ-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