General Information of the Compound
| Compound ID |
CP0389963
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| Compound Name |
1-[[1-[(2-ethenylphenyl)methyl]-3,5-dimethylpyrazol-4-yl]methyl-methylamino]-3-(4-ethoxyphenoxy)propan-2-ol
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| Structure |
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| Formula |
C27H35N3O3
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| Molecular Weight |
449.595
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| Canonical SMILES |
CCOc1ccc(OCC(O)CN(C)Cc2c(C)nn(Cc3ccccc3C=C)c2C)cc1
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| InChI |
InChI=1S/C27H35N3O3/c1-6-22-10-8-9-11-23(22)16-30-21(4)27(20(3)28-30)18-29(5)17-24(31)19-33-26-14-12-25(13-15-26)32-7-2/h6,8-15,24,31H,1,7,16-19H2,2-5H3
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| InChIKey |
QNELBWWOJJNNKD-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