General Information of the Compound
| Compound ID |
CP0432217
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| Compound Name |
7-[[4-(4,5-difluoro-2-methoxyphenyl)phenoxy]methyl]-2-[(2R)-2,3-dihydroxypropyl]-1H-indazol-3-one
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| Structure |
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| Formula |
C24H22F2N2O5
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| Molecular Weight |
456.445
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| Canonical SMILES |
COc1cc(F)c(F)cc1-c1ccc(OCc2cccc3c2[nH]n(C[C@@H](O)CO)c3=O)cc1
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| InChI |
InChI=1S/C24H22F2N2O5/c1-32-22-10-21(26)20(25)9-19(22)14-5-7-17(8-6-14)33-13-15-3-2-4-18-23(15)27-28(24(18)31)11-16(30)12-29/h2-10,16,27,29-30H,11-13H2,1H3/t16-/m1/s1
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| InChIKey |
NRDJLBSSVZLBQY-MRXNPFEDSA-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