General Information of the Compound
| Compound ID |
CP0522275
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| Compound Name |
(R)-N-ethyl-N-(1-(3-(3-isopropylphenyl)-3-(4-(methylsulfonyl)phenyl)propyl)piperidin-4-yl)-2-(4-(methylsulfonyl)phenyl)acetamide
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| Structure |
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| Formula |
C35H46N2O5S2
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| Molecular Weight |
638.896
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| Canonical SMILES |
CCN(C1CCN(CC[C@H](c2ccc(cc2)S(C)(=O)=O)c2cccc(c2)C(C)C)CC1)C(=O)Cc1ccc(cc1)S(C)(=O)=O
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| InChI |
InChI=1S/C35H46N2O5S2/c1-6-37(35(38)24-27-10-14-32(15-11-27)43(4,39)40)31-18-21-36(22-19-31)23-20-34(30-9-7-8-29(25-30)26(2)3)28-12-16-33(17-13-28)44(5,41)42/h7-17,25-26,31,34H,6,18-24H2,1-5H3/t34-/m1/s1
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| InChIKey |
BDQQVPFAZDRHQD-UUWRZZSWSA-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