General Information of the Compound
| Compound ID |
CP0542858
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| Compound Name |
2-[4-[[1-[1-(naphthalene-1-carbonyl)piperidin-4-yl]piperidin-4-yl]methyl]phenyl]sulfanylacetic acid
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| Structure |
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| Formula |
C30H34N2O3S
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| Molecular Weight |
502.68
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| Canonical SMILES |
OC(=O)CSc1ccc(CC2CCN(CC2)C2CCN(CC2)C(=O)c2cccc3ccccc23)cc1
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| InChI |
InChI=1S/C30H34N2O3S/c33-29(34)21-36-26-10-8-22(9-11-26)20-23-12-16-31(17-13-23)25-14-18-32(19-15-25)30(35)28-7-3-5-24-4-1-2-6-27(24)28/h1-11,23,25H,12-21H2,(H,33,34)
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| InChIKey |
LKCWSPBJOVCDOX-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