General Information of the Compound
| Compound ID |
CP0102074
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| Compound Name |
({4-[2-Benzotriazol-1-yl-2-phenyl-3-(2'-sulfamoyl-biphenyl-4-yl)-propyl]-phenyl}-difluoro-methyl)-phosphonic acid
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| Structure |
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| Formula |
C34H29F2N4O5PS
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| Molecular Weight |
674.666
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| Canonical SMILES |
NS(=O)(=O)c1ccccc1-c1ccc(CC(Cc2ccc(cc2)C(F)(F)P(O)(O)=O)(c2ccccc2)n2nnc3ccccc23)cc1
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| InChI |
InChI=1S/C34H29F2N4O5PS/c35-34(36,46(41,42)43)28-20-16-25(17-21-28)23-33(27-8-2-1-3-9-27,40-31-12-6-5-11-30(31)38-39-40)22-24-14-18-26(19-15-24)29-10-4-7-13-32(29)47(37,44)45/h1-21H,22-23H2,(H2,37,44,45)(H2,41,42,43)
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| InChIKey |
RCYZJMHAZBYKMI-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