General Information of the Compound
| Compound ID |
CP0424940
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| Compound Name |
1-[[1-[(2-chlorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]methyl-methylamino]-3-(3,4-dichlorophenoxy)propan-2-ol
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| Structure |
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| Formula |
C23H26Cl3N3O2
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| Molecular Weight |
482.839
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| Canonical SMILES |
CN(CC(O)COc1ccc(Cl)c(Cl)c1)Cc1c(C)nn(Cc2ccccc2Cl)c1C
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| InChI |
InChI=1S/C23H26Cl3N3O2/c1-15-20(16(2)29(27-15)11-17-6-4-5-7-21(17)24)13-28(3)12-18(30)14-31-19-8-9-22(25)23(26)10-19/h4-10,18,30H,11-14H2,1-3H3
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| InChIKey |
ZLIBIZHOQBNCBO-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