General Information of the Compound
| Compound ID |
CP0572866
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| Compound Name |
N'-[(7S)-4-fluoro-7-bicyclo[4.2.0]octa-1(6),2,4-trienyl]-N-hydroxy-4-[2-(sulfamoylamino)ethylsulfanyl]-1,2,5-oxadiazole-3-carboximidamide
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| Structure |
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| Formula |
C13H15FN6O4S2
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| Molecular Weight |
402.433
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| Canonical SMILES |
NS(=O)(=O)NCCSc1nonc1\C(N[C@H]1Cc2ccc(F)cc12)=N\O
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| InChI |
InChI=1S/C13H15FN6O4S2/c14-8-2-1-7-5-10(9(7)6-8)17-12(18-21)11-13(20-24-19-11)25-4-3-16-26(15,22)23/h1-2,6,10,16,21H,3-5H2,(H,17,18)(H2,15,22,23)/t10-/m0/s1
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| InChIKey |
CPQMBQRMRWSZRB-JTQLQIEISA-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