General Information of the Compound
| Compound ID |
CP0212664
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| Compound Name |
({4-[2-Benzotriazol-1-yl-3-(4-benzyloxy-phenyl)-2-phenyl-propyl]-phenyl}-difluoro-methyl)-phosphonic acid
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| Structure |
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| Formula |
C35H30F2N3O4P
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| Molecular Weight |
625.612
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| Canonical SMILES |
OP(O)(=O)C(F)(F)c1ccc(CC(Cc2ccc(OCc3ccccc3)cc2)(c2ccccc2)n2nnc3ccccc23)cc1
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| InChI |
InChI=1S/C35H30F2N3O4P/c36-35(37,45(41,42)43)30-19-15-26(16-20-30)23-34(29-11-5-2-6-12-29,40-33-14-8-7-13-32(33)38-39-40)24-27-17-21-31(22-18-27)44-25-28-9-3-1-4-10-28/h1-22H,23-25H2,(H2,41,42,43)
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| InChIKey |
QYFIFOCIAJOQNA-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