General Information of the Compound
| Compound ID |
CP0102048
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| Compound Name |
({4-[2-Benzotriazol-1-yl-3-(4-bromo-phenyl)-2-phenyl-propyl]-phenyl}-difluoro-methyl)-phosphonic acid
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| Structure |
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| Formula |
C28H23BrF2N3O3P
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| Molecular Weight |
598.384
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| Canonical SMILES |
OP(O)(=O)C(F)(F)c1ccc(CC(Cc2ccc(Br)cc2)(c2ccccc2)n2nnc3ccccc23)cc1
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| InChI |
InChI=1S/C28H23BrF2N3O3P/c29-24-16-12-21(13-17-24)19-27(22-6-2-1-3-7-22,34-26-9-5-4-8-25(26)32-33-34)18-20-10-14-23(15-11-20)28(30,31)38(35,36)37/h1-17H,18-19H2,(H2,35,36,37)
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| InChIKey |
VVHNEMAMQJWZGQ-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