General Information of the Compound
| Compound ID |
CP0507573
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| Compound Name |
2,6-Di-tert-butyl-4-[2-(1,5-dimethyl-1H-pyrazol-3-yl)-vinyl]-phenol
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| Structure |
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| Formula |
C21H30N2O
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| Molecular Weight |
326.484
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| Canonical SMILES |
Cc1cc(\C=C\c2cc(c(O)c(c2)C(C)(C)C)C(C)(C)C)nn1C
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| InChI |
InChI=1S/C21H30N2O/c1-14-11-16(22-23(14)8)10-9-15-12-17(20(2,3)4)19(24)18(13-15)21(5,6)7/h9-13,24H,1-8H3/b10-9+
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| InChIKey |
MGBIMDQNQUZGEV-MDZDMXLPSA-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