General Information of the Compound
| Compound ID |
CP0511312
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| Compound Name |
[4-[4-[[4-(2-hydroxyethylsulfanyl)phenyl]methyl]piperidin-1-yl]piperidin-1-yl]-naphthalen-1-ylmethanone
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| Structure |
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| Formula |
C30H36N2O2S
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| Molecular Weight |
488.697
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| Canonical SMILES |
OCCSc1ccc(CC2CCN(CC2)C2CCN(CC2)C(=O)c2cccc3ccccc23)cc1
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| InChI |
InChI=1S/C30H36N2O2S/c33-20-21-35-27-10-8-23(9-11-27)22-24-12-16-31(17-13-24)26-14-18-32(19-15-26)30(34)29-7-3-5-25-4-1-2-6-28(25)29/h1-11,24,26,33H,12-22H2
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| InChIKey |
SATBVHCOHOPRPV-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