General Information of the Compound
| Compound ID |
CP0464347
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| Compound Name |
(S)-N-ethyl-N-(1-(3-(4-fluorophenyl)-3-(4-(methylsulfonyl)phenyl)propyl)piperidin-4-yl)-2-(4-(methylsulfonyl)phenyl)acetamide
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| Structure |
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| Formula |
C32H39FN2O5S2
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| Molecular Weight |
614.805
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| Canonical SMILES |
CCN(C1CCN(CC[C@@H](c2ccc(F)cc2)c2ccc(cc2)S(C)(=O)=O)CC1)C(=O)Cc1ccc(cc1)S(C)(=O)=O
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| InChI |
InChI=1S/C32H39FN2O5S2/c1-4-35(32(36)23-24-5-13-29(14-6-24)41(2,37)38)28-17-20-34(21-18-28)22-19-31(25-7-11-27(33)12-8-25)26-9-15-30(16-10-26)42(3,39)40/h5-16,28,31H,4,17-23H2,1-3H3/t31-/m0/s1
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| InChIKey |
HEQNNPHUJZSSCR-HKBQPEDESA-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