General Information of the Compound
| Compound ID |
CP0521249
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| Compound Name |
naphthalen-2-yl-[4-[4-[(4-propan-2-ylsulfanylphenyl)methyl]piperidin-1-yl]piperidin-1-yl]methanone
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| Structure |
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| Formula |
C31H38N2OS
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| Molecular Weight |
486.725
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| Canonical SMILES |
CC(C)Sc1ccc(CC2CCN(CC2)C2CCN(CC2)C(=O)c2ccc3ccccc3c2)cc1
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| InChI |
InChI=1S/C31H38N2OS/c1-23(2)35-30-11-7-24(8-12-30)21-25-13-17-32(18-14-25)29-15-19-33(20-16-29)31(34)28-10-9-26-5-3-4-6-27(26)22-28/h3-12,22-23,25,29H,13-21H2,1-2H3
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| InChIKey |
UVJNNUABUWMROS-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