General Information of the Compound
| Compound ID |
CP0463222
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| Compound Name |
ethyl 2-[4-[[1-[1-(6-ethoxynaphthalene-1-carbonyl)piperidin-4-yl]piperidin-4-yl]methyl]phenyl]sulfanylacetate
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| Structure |
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| Formula |
C34H42N2O4S
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| Molecular Weight |
574.787
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| Canonical SMILES |
CCOC(=O)CSc1ccc(CC2CCN(CC2)C2CCN(CC2)C(=O)c2cccc3cc(OCC)ccc23)cc1
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| InChI |
InChI=1S/C34H42N2O4S/c1-3-39-29-10-13-31-27(23-29)6-5-7-32(31)34(38)36-20-16-28(17-21-36)35-18-14-26(15-19-35)22-25-8-11-30(12-9-25)41-24-33(37)40-4-2/h5-13,23,26,28H,3-4,14-22,24H2,1-2H3
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| InChIKey |
QRZIHOMPBVPJOA-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