General Information of the Compound
| Compound ID |
CP0448858
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| Compound Name |
ethyl 2-[4-[[1-[1-(naphthalene-1-carbonyl)piperidin-4-yl]piperidin-4-yl]methyl]phenyl]sulfanylacetate
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| Structure |
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| Formula |
C32H38N2O3S
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| Molecular Weight |
530.734
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| Canonical SMILES |
CCOC(=O)CSc1ccc(CC2CCN(CC2)C2CCN(CC2)C(=O)c2cccc3ccccc23)cc1
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| InChI |
InChI=1S/C32H38N2O3S/c1-2-37-31(35)23-38-28-12-10-24(11-13-28)22-25-14-18-33(19-15-25)27-16-20-34(21-17-27)32(36)30-9-5-7-26-6-3-4-8-29(26)30/h3-13,25,27H,2,14-23H2,1H3
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| InChIKey |
WHAKVGBHEYJGKJ-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