General Information of the Compound
| Compound ID |
CP0483108
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| Compound Name |
naphthalen-1-yl-[4-[4-[(4-propan-2-ylsulfonylphenyl)methyl]piperidin-1-yl]piperidin-1-yl]methanone
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| Structure |
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| Formula |
C31H38N2O3S
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| Molecular Weight |
518.723
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| Canonical SMILES |
CC(C)S(=O)(=O)c1ccc(CC2CCN(CC2)C2CCN(CC2)C(=O)c2cccc3ccccc23)cc1
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| InChI |
InChI=1S/C31H38N2O3S/c1-23(2)37(35,36)28-12-10-24(11-13-28)22-25-14-18-32(19-15-25)27-16-20-33(21-17-27)31(34)30-9-5-7-26-6-3-4-8-29(26)30/h3-13,23,25,27H,14-22H2,1-2H3
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| InChIKey |
LSOHVGBWXSGCMC-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