General Information of the Compound
| Compound ID |
CP0473790
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| Compound Name |
(1S,4R)-N-ethyl-7,7-dimethyl-1-[[4-[5-(trifluoromethyl)pyridin-2-yl]piperazin-1-yl]sulfonylmethyl]bicyclo[2.2.1]heptan-2-amine
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| Structure |
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| Formula |
C22H33F3N4O2S
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| Molecular Weight |
474.593
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| Canonical SMILES |
CCNC1C[C@H]2CC[C@]1(CS(=O)(=O)N1CCN(CC1)c1ccc(cn1)C(F)(F)F)C2(C)C
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| InChI |
InChI=1S/C22H33F3N4O2S/c1-4-26-18-13-16-7-8-21(18,20(16,2)3)15-32(30,31)29-11-9-28(10-12-29)19-6-5-17(14-27-19)22(23,24)25/h5-6,14,16,18,26H,4,7-13,15H2,1-3H3/t16-,18?,21-/m1/s1
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| InChIKey |
QHRCPVIDQNJAIN-JNEOBVTJSA-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