General Information of the Compound
| Compound ID |
CP0128579
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| Compound Name |
2,6-ditert-butyl-4-[[4-(2-hydroxyethyl)-1-piperazinyl]-(3-pyridinyl)methyl]phenol
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| Structure |
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| Formula |
C26H39N3O2
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| Molecular Weight |
425.617
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| Canonical SMILES |
CC(C)(C)c1cc(cc(c1O)C(C)(C)C)C(N1CCN(CCO)CC1)c1cccnc1
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| InChI |
InChI=1S/C26H39N3O2/c1-25(2,3)21-16-20(17-22(24(21)31)26(4,5)6)23(19-8-7-9-27-18-19)29-12-10-28(11-13-29)14-15-30/h7-9,16-18,23,30-31H,10-15H2,1-6H3
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| InChIKey |
BCZBEPCVKBTUCC-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
Protein ID: PT02997, Isocitrate dehydrogenase [NADP] cytoplasmic
Protein ID: PT06172, Mothers against decapentaplegic homolog 3