General Information of the Compound
| Compound ID |
CP0271852
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| Compound Name |
N'-(3-bromo-4-fluorophenyl)-4-[(1-cyclopropylsulfonylpiperidin-3-yl)methylamino]-N-hydroxy-1,2,5-oxadiazole-3-carboximidamide
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| Formula |
C18H22BrFN6O4S
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| Molecular Weight |
517.381
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| Canonical SMILES |
O\N=C(/Nc1ccc(F)c(Br)c1)c1nonc1NCC1CCCN(C1)S(=O)(=O)C1CC1
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| InChI |
InChI=1S/C18H22BrFN6O4S/c19-14-8-12(3-6-15(14)20)22-18(23-27)16-17(25-30-24-16)21-9-11-2-1-7-26(10-11)31(28,29)13-4-5-13/h3,6,8,11,13,27H,1-2,4-5,7,9-10H2,(H,21,25)(H,22,23)
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| InChIKey |
QBRCGPWYZWZVGU-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