General Information of the Compound
| Compound ID |
CP0421332
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| Compound Name |
5-pyrazol-1-yl-2-[6-[2,2,6,6-tetramethyl-1-(2,2,2-trifluoroethyl)piperidin-4-yl]oxypyridazin-3-yl]phenol
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| Structure |
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| Formula |
C24H28F3N5O2
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| Molecular Weight |
475.515
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| Canonical SMILES |
CC1(C)CC(CC(C)(C)N1CC(F)(F)F)Oc1ccc(nn1)-c1ccc(cc1O)-n1cccn1
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| InChI |
InChI=1S/C24H28F3N5O2/c1-22(2)13-17(14-23(3,4)32(22)15-24(25,26)27)34-21-9-8-19(29-30-21)18-7-6-16(12-20(18)33)31-11-5-10-28-31/h5-12,17,33H,13-15H2,1-4H3
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| InChIKey |
MNUHYPSBAOYWPT-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