General Information of the Compound
| Compound ID |
CP0535695
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| Compound Name |
(4-Fluoro-naphthalen-1-yl)-[4-(4-isopropylsulfanyl-benzyl)-[1,4']bipiperidinyl-1'-yl]-methanone
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| Structure |
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| Formula |
C31H37FN2OS
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| Molecular Weight |
504.715
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| Canonical SMILES |
CC(C)Sc1ccc(CC2CCN(CC2)C2CCN(CC2)C(=O)c2ccc(F)c3ccccc23)cc1
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| InChI |
InChI=1S/C31H37FN2OS/c1-22(2)36-26-9-7-23(8-10-26)21-24-13-17-33(18-14-24)25-15-19-34(20-16-25)31(35)29-11-12-30(32)28-6-4-3-5-27(28)29/h3-12,22,24-25H,13-21H2,1-2H3
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| InChIKey |
VBMSDUOLUJFYDQ-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