General Information of the Compound
| Compound ID |
CP0532354
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| Compound Name |
1-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl-methylamino]-3-(4-ethoxyphenoxy)propan-2-ol
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| Structure |
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| Formula |
C25H33N3O3
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| Molecular Weight |
423.557
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| Canonical SMILES |
CCOc1ccc(OCC(O)CN(C)Cc2c(C)nn(Cc3ccccc3)c2C)cc1
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| InChI |
InChI=1S/C25H33N3O3/c1-5-30-23-11-13-24(14-12-23)31-18-22(29)16-27(4)17-25-19(2)26-28(20(25)3)15-21-9-7-6-8-10-21/h6-14,22,29H,5,15-18H2,1-4H3
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| InChIKey |
VYEZMJXAJMMPSX-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