General Information of the Compound
| Compound ID |
CP0508207
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| Compound Name |
(1S,4R)-7,7-dimethyl-1-[[2-methyl-4-[5-(trifluoromethyl)pyridin-2-yl]piperazin-1-yl]sulfonylmethyl]bicyclo[2.2.1]heptan-2-one
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| Structure |
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| Formula |
C21H28F3N3O3S
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| Molecular Weight |
459.534
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| Canonical SMILES |
CC1CN(CCN1S(=O)(=O)C[C@]12CC[C@H](CC1=O)C2(C)C)c1ccc(cn1)C(F)(F)F
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| InChI |
InChI=1S/C21H28F3N3O3S/c1-14-12-26(18-5-4-16(11-25-18)21(22,23)24)8-9-27(14)31(29,30)13-20-7-6-15(10-17(20)28)19(20,2)3/h4-5,11,14-15H,6-10,12-13H2,1-3H3/t14?,15-,20-/m1/s1
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| InChIKey |
GMIBMWRSYHIPAU-XUERPSFUSA-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