General Information of the Compound
| Compound ID |
CP0511419
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| Compound Name |
1-[[1-[(2-chlorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]methyl-methylamino]-3-[4-(2-methoxyethyl)phenoxy]propan-2-ol
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| Structure |
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| Formula |
C26H34ClN3O3
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| Molecular Weight |
472.029
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| Canonical SMILES |
COCCc1ccc(OCC(O)CN(C)Cc2c(C)nn(Cc3ccccc3Cl)c2C)cc1
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| InChI |
InChI=1S/C26H34ClN3O3/c1-19-25(20(2)30(28-19)15-22-7-5-6-8-26(22)27)17-29(3)16-23(31)18-33-24-11-9-21(10-12-24)13-14-32-4/h5-12,23,31H,13-18H2,1-4H3
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| InChIKey |
JSFPIKWBDVQMEC-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