General Information of the Compound
| Compound ID |
CP0522277
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| Compound Name |
(R)-N-ethyl-2-(4-(methylsulfonyl)phenyl)-N-(1-(3-(4-(methylsulfonyl)phenyl)-3-(3-(trifluoromethyl)phenyl)propyl)piperidin-4-yl)acetamide
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| Structure |
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| Formula |
C33H39F3N2O5S2
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| Molecular Weight |
664.812
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| Canonical SMILES |
CCN(C1CCN(CC[C@H](c2ccc(cc2)S(C)(=O)=O)c2cccc(c2)C(F)(F)F)CC1)C(=O)Cc1ccc(cc1)S(C)(=O)=O
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| InChI |
InChI=1S/C33H39F3N2O5S2/c1-4-38(32(39)22-24-8-12-29(13-9-24)44(2,40)41)28-16-19-37(20-17-28)21-18-31(25-10-14-30(15-11-25)45(3,42)43)26-6-5-7-27(23-26)33(34,35)36/h5-15,23,28,31H,4,16-22H2,1-3H3/t31-/m1/s1
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| InChIKey |
QZVKMTXFSIOGOY-WJOKGBTCSA-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