General Information of the Compound
| Compound ID |
CP0386182
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| Compound Name |
7-[[4-(2-chloro-4,5-difluorophenyl)phenoxy]methyl]-2-[(2S)-2,3-dihydroxypropyl]-1H-indazol-3-one
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| Structure |
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| Formula |
C23H19ClF2N2O4
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| Molecular Weight |
460.864
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| Canonical SMILES |
OC[C@@H](O)Cn1[nH]c2c(COc3ccc(cc3)-c3cc(F)c(F)cc3Cl)cccc2c1=O
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| InChI |
InChI=1S/C23H19ClF2N2O4/c24-19-9-21(26)20(25)8-18(19)13-4-6-16(7-5-13)32-12-14-2-1-3-17-22(14)27-28(23(17)31)10-15(30)11-29/h1-9,15,27,29-30H,10-12H2/t15-/m0/s1
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| InChIKey |
LIKBHRPBGKYDJE-HNNXBMFYSA-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