General Information of the Compound
| Compound ID |
CP0431306
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| Compound Name |
N-[1-[3-(4-acetylpiperazin-1-yl)-3-phenylpropyl]piperidin-4-yl]-N-ethyl-2-(4-methylsulfonylphenyl)acetamide
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| Structure |
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| Formula |
C31H44N4O4S
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| Molecular Weight |
568.784
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| Canonical SMILES |
CCN(C1CCN(CCC(N2CCN(CC2)C(C)=O)c2ccccc2)CC1)C(=O)Cc1ccc(cc1)S(C)(=O)=O
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| InChI |
InChI=1S/C31H44N4O4S/c1-4-35(31(37)24-26-10-12-29(13-11-26)40(3,38)39)28-14-17-32(18-15-28)19-16-30(27-8-6-5-7-9-27)34-22-20-33(21-23-34)25(2)36/h5-13,28,30H,4,14-24H2,1-3H3
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| InChIKey |
JDFSLKRZSJQKFT-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