General Information of the Compound
| Compound ID |
CP0436259
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| Compound Name |
(R)-N-(1-(3-(2,5-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)c2cc(F)ccc2F)CC1)C(=O)Cc1ccc(cc1)S(C)(=O)=O
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| InChI |
InChI=1S/C32H38F2N2O5S2/c1-4-36(32(37)21-23-5-10-27(11-6-23)42(2,38)39)26-15-18-35(19-16-26)20-17-29(30-22-25(33)9-14-31(30)34)24-7-12-28(13-8-24)43(3,40)41/h5-14,22,26,29H,4,15-21H2,1-3H3/t29-/m1/s1
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| InChIKey |
OICWCVOOUHNWCL-GDLZYMKVSA-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