General Information of the Compound
| Compound ID |
CP0569202
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| Compound Name |
1-[[3,5-dimethyl-1-[(2-methylphenyl)methyl]pyrazol-4-yl]methyl-methylamino]-4-(4-ethoxyphenoxy)butan-2-ol
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| Structure |
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| Formula |
C27H37N3O3
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| Molecular Weight |
451.611
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| Canonical SMILES |
CCOc1ccc(OCCC(O)CN(C)Cc2c(C)nn(Cc3ccccc3C)c2C)cc1
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| InChI |
InChI=1S/C27H37N3O3/c1-6-32-25-11-13-26(14-12-25)33-16-15-24(31)18-29(5)19-27-21(3)28-30(22(27)4)17-23-10-8-7-9-20(23)2/h7-14,24,31H,6,15-19H2,1-5H3
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| InChIKey |
GTBWKPOQACBRJC-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