General Information of the Compound
| Compound ID |
CP0421109
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| Compound Name |
N'-(3-bromo-4-fluorophenyl)-4-[2-[[ethoxy(naphthalen-1-ylmethyl)phosphoryl]amino]ethylamino]-N-hydroxy-1,2,5-oxadiazole-3-carboximidamide
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| Structure |
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| Formula |
C24H25BrFN6O4P
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| Molecular Weight |
591.378
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| Canonical SMILES |
CCOP(=O)(Cc1cccc2ccccc12)NCCNc1nonc1\C(Nc1ccc(F)c(Br)c1)=N\O
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| InChI |
InChI=1S/C24H25BrFN6O4P/c1-2-35-37(34,15-17-8-5-7-16-6-3-4-9-19(16)17)28-13-12-27-23-22(31-36-32-23)24(30-33)29-18-10-11-21(26)20(25)14-18/h3-11,14,33H,2,12-13,15H2,1H3,(H,27,32)(H,28,34)(H,29,30)
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| InChIKey |
WAXAJFBYROAOBS-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