General Information of the Compound
| Compound ID |
CP0267727
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| Compound Name |
[[4-[2-(benzotriazol-1-yl)-3-[3-bromo-4-[difluoro(phosphono)methyl]phenyl]-2-phenylpropyl]phenyl]-difluoromethyl]phosphonic acid
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| Structure |
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| Formula |
C29H24BrF4N3O6P2
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| Molecular Weight |
728.37
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| Canonical SMILES |
OP(O)(=O)C(F)(F)c1ccc(CC(Cc2ccc(c(Br)c2)C(F)(F)P(O)(O)=O)(c2ccccc2)n2nnc3ccccc23)cc1
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| InChI |
InChI=1S/C29H24BrF4N3O6P2/c30-24-16-20(12-15-23(24)29(33,34)45(41,42)43)18-27(21-6-2-1-3-7-21,37-26-9-5-4-8-25(26)35-36-37)17-19-10-13-22(14-11-19)28(31,32)44(38,39)40/h1-16H,17-18H2,(H2,38,39,40)(H2,41,42,43)
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| InChIKey |
SLWJGFJPTJPJCI-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