General Information of the Compound
| Compound ID |
CP0466497
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| Compound Name |
1-[[1-[(2-chlorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]methyl-methylamino]-3-(2-methoxyphenoxy)propan-2-ol
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| Structure |
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| Formula |
C24H30ClN3O3
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| Molecular Weight |
443.975
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| Canonical SMILES |
COc1ccccc1OCC(O)CN(C)Cc1c(C)nn(Cc2ccccc2Cl)c1C
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| InChI |
InChI=1S/C24H30ClN3O3/c1-17-21(18(2)28(26-17)13-19-9-5-6-10-22(19)25)15-27(3)14-20(29)16-31-24-12-8-7-11-23(24)30-4/h5-12,20,29H,13-16H2,1-4H3
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| InChIKey |
JIVNADXFRMEDNH-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