General Information of the Compound
| Compound ID |
CP0526294
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| Compound Name |
(R)-N-(1-(3-(2,6-difluorophenyl)-3-(4-(methylsulfonyl)phenyl)propyl)piperidin-4-yl)-N-ethyl-2-(4-(methylsulfonyl)phenyl)acetamide
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| Structure |
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| Formula |
C32H38F2N2O5S2
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| Molecular Weight |
632.795
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| Canonical SMILES |
CCN(C1CCN(CC[C@H](c2ccc(cc2)S(C)(=O)=O)c2c(F)cccc2F)CC1)C(=O)Cc1ccc(cc1)S(C)(=O)=O
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| InChI |
InChI=1S/C32H38F2N2O5S2/c1-4-36(31(37)22-23-8-12-26(13-9-23)42(2,38)39)25-16-19-35(20-17-25)21-18-28(32-29(33)6-5-7-30(32)34)24-10-14-27(15-11-24)43(3,40)41/h5-15,25,28H,4,16-22H2,1-3H3/t28-/m1/s1
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| InChIKey |
UKLYIBLRWMCLRI-MUUNZHRXSA-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