General Information of the Compound
| Compound ID |
CP0436180
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| Compound Name |
4-[3-(4-{Ethyl-[2-(4-methanesulfonyl-phenyl)-acetyl]-amino}-piperidin-1-yl)-1-phenyl-propyl]-benzoic acid methyl ester
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| Structure |
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| Formula |
C33H40N2O5S
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| Molecular Weight |
576.759
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| Canonical SMILES |
CCN(C1CCN(CCC(c2ccccc2)c2ccc(cc2)C(=O)OC)CC1)C(=O)Cc1ccc(cc1)S(C)(=O)=O
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| InChI |
InChI=1S/C33H40N2O5S/c1-4-35(32(36)24-25-10-16-30(17-11-25)41(3,38)39)29-18-21-34(22-19-29)23-20-31(26-8-6-5-7-9-26)27-12-14-28(15-13-27)33(37)40-2/h5-17,29,31H,4,18-24H2,1-3H3
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| InChIKey |
QMPSTZSSNBYKQR-UHFFFAOYSA-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