General Information of the Compound
| Compound ID |
CP0452433
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| Compound Name |
1-(4-chlorophenoxy)-3-[[1-[(2-ethenylphenyl)methyl]-3,5-dimethylpyrazol-4-yl]methyl-methylamino]propan-2-ol
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| Structure |
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| Formula |
C25H30ClN3O2
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| Molecular Weight |
439.987
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| Canonical SMILES |
CN(CC(O)COc1ccc(Cl)cc1)Cc1c(C)nn(Cc2ccccc2C=C)c1C
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| InChI |
InChI=1S/C25H30ClN3O2/c1-5-20-8-6-7-9-21(20)14-29-19(3)25(18(2)27-29)16-28(4)15-23(30)17-31-24-12-10-22(26)11-13-24/h5-13,23,30H,1,14-17H2,2-4H3
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| InChIKey |
ZZQSFFVARQHGNE-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