General Information of the Compound
| Compound ID |
CP0453319
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| Compound Name |
(6-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)c2cccc3cc(F)ccc23)cc1
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| InChI |
InChI=1S/C31H37FN2OS/c1-22(2)36-28-9-6-23(7-10-28)20-24-12-16-33(17-13-24)27-14-18-34(19-15-27)31(35)30-5-3-4-25-21-26(32)8-11-29(25)30/h3-11,21-22,24,27H,12-20H2,1-2H3
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| InChIKey |
ONXJKVBTVFWQPP-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