General Information of the Compound
| Compound ID |
CP0080110
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| Compound Name |
[[4-[2-(benzotriazol-1-yl)-3-[4-[difluoro(phosphono)methyl]phenyl]-2-quinolin-2-ylpropyl]phenyl]-difluoromethyl]phosphonic acid
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| Structure |
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| Formula |
C32H26F4N4O6P2
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| Molecular Weight |
700.522
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| Canonical SMILES |
OP(O)(=O)C(F)(F)c1ccc(CC(Cc2ccc(cc2)C(F)(F)P(O)(O)=O)(c2ccc3ccccc3n2)n2nnc3ccccc23)cc1
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| InChI |
InChI=1S/C32H26F4N4O6P2/c33-31(34,47(41,42)43)24-14-9-21(10-15-24)19-30(40-28-8-4-3-7-27(28)38-39-40,29-18-13-23-5-1-2-6-26(23)37-29)20-22-11-16-25(17-12-22)32(35,36)48(44,45)46/h1-18H,19-20H2,(H2,41,42,43)(H2,44,45,46)
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| InChIKey |
ZCFDJLHEIXJWMR-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