General Information of the Compound
| Compound ID |
CP0151508
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| Compound Name |
[[4-[(E)-2-(benzotriazol-1-yl)-5-[4-[difluoro(phosphono)methyl]phenyl]-2-phenylpent-4-enyl]phenyl]-difluoromethyl]phosphonic acid
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| Structure |
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| Formula |
C31H27F4N3O6P2
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| Molecular Weight |
675.512
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| Canonical SMILES |
OP(O)(=O)C(F)(F)c1ccc(CC(C\C=C\c2ccc(cc2)C(F)(F)P(O)(O)=O)(c2ccccc2)n2nnc3ccccc23)cc1
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| InChI |
InChI=1S/C31H27F4N3O6P2/c32-30(33,45(39,40)41)25-16-12-22(13-17-25)7-6-20-29(24-8-2-1-3-9-24,38-28-11-5-4-10-27(28)36-37-38)21-23-14-18-26(19-15-23)31(34,35)46(42,43)44/h1-19H,20-21H2,(H2,39,40,41)(H2,42,43,44)/b7-6+
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| InChIKey |
IQWGAAHPACZIDQ-VOTSOKGWSA-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