General Information of the Compound
| Compound ID |
CP0463221
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| Compound Name |
(2-Chloro-6-methoxy-phenyl)-[4-(4-isopropylsulfanyl-benzyl)-[1,4']bipiperidinyl-1'-yl]-methanone
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| Structure |
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| Formula |
C28H37ClN2O2S
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| Molecular Weight |
501.136
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| Canonical SMILES |
COc1cccc(Cl)c1C(=O)N1CCC(CC1)N1CCC(Cc2ccc(SC(C)C)cc2)CC1
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| InChI |
InChI=1S/C28H37ClN2O2S/c1-20(2)34-24-9-7-21(8-10-24)19-22-11-15-30(16-12-22)23-13-17-31(18-14-23)28(32)27-25(29)5-4-6-26(27)33-3/h4-10,20,22-23H,11-19H2,1-3H3
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| InChIKey |
QGOZRQDNJCJRIX-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