General Information of the Compound
| Compound ID |
CP0534199
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| Compound Name |
4-[4-[5-(4,4-dimethyl-5-oxo-1-propan-2-ylpyrazol-3-yl)-2-methoxyphenoxy]butoxy]benzonitrile
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| Structure |
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| Formula |
C26H31N3O4
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| Molecular Weight |
449.551
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| Canonical SMILES |
COc1ccc(cc1OCCCCOc1ccc(cc1)C#N)C1=NN(C(C)C)C(=O)C1(C)C
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| InChI |
InChI=1S/C26H31N3O4/c1-18(2)29-25(30)26(3,4)24(28-29)20-10-13-22(31-5)23(16-20)33-15-7-6-14-32-21-11-8-19(17-27)9-12-21/h8-13,16,18H,6-7,14-15H2,1-5H3
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| InChIKey |
QCLFOMANMRBJIN-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