General Information of the Compound
| Compound ID |
CP0212665
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| Compound Name |
({4-[2-Benzotriazol-1-yl-3-[4-(difluoro-phosphono-methyl)-phenyl]-2-(1H-tetrazol-5-yl)-propyl]-phenyl}-difluoro-methyl)-phosphonic acid
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| Structure |
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| Formula |
C24H21F4N7O6P2
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| Molecular Weight |
641.415
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| Canonical SMILES |
OP(O)(=O)C(F)(F)c1ccc(CC(Cc2ccc(cc2)C(F)(F)P(O)(O)=O)(c2nnn[nH]2)n2nnc3ccccc23)cc1
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| InChI |
InChI=1S/C24H21F4N7O6P2/c25-23(26,42(36,37)38)17-9-5-15(6-10-17)13-22(21-30-32-33-31-21,35-20-4-2-1-3-19(20)29-34-35)14-16-7-11-18(12-8-16)24(27,28)43(39,40)41/h1-12H,13-14H2,(H2,36,37,38)(H2,39,40,41)(H,30,31,32,33)
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| InChIKey |
NFYJBAFWWYMJRQ-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