General Information of the Compound
| Compound ID |
CP0481267
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| Compound Name |
(1S,4R)-7,7-dimethyl-1-[[3-propan-2-yl-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 |
C23H32F3N3O3S
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| Molecular Weight |
487.588
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| Canonical SMILES |
CC(C)C1CN(CCN1c1ccc(cn1)C(F)(F)F)S(=O)(=O)C[C@]12CC[C@H](CC1=O)C2(C)C
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| InChI |
InChI=1S/C23H32F3N3O3S/c1-15(2)18-13-28(9-10-29(18)20-6-5-17(12-27-20)23(24,25)26)33(31,32)14-22-8-7-16(11-19(22)30)21(22,3)4/h5-6,12,15-16,18H,7-11,13-14H2,1-4H3/t16-,18?,22-/m1/s1
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| InChIKey |
MWSYRMOEKUQMHZ-GOWJYDFKSA-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