General Information of the Compound
| Compound ID |
CP0466330
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| Compound Name |
2-[5-(4-chlorophenyl)-3-(2,2,6,6-tetramethyloxan-4-yl)pyrazol-1-yl]-N,N-diethylaniline
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| Structure |
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| Formula |
C28H36ClN3O
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| Molecular Weight |
466.069
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| Canonical SMILES |
CCN(CC)c1ccccc1-n1nc(cc1-c1ccc(Cl)cc1)C1CC(C)(C)OC(C)(C)C1
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| InChI |
InChI=1S/C28H36ClN3O/c1-7-31(8-2)24-11-9-10-12-25(24)32-26(20-13-15-22(29)16-14-20)17-23(30-32)21-18-27(3,4)33-28(5,6)19-21/h9-17,21H,7-8,18-19H2,1-6H3
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| InChIKey |
SVFMGTVODFUTOM-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