General Information of the Compound
| Compound ID |
CP0448671
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| Compound Name |
(2,4-Dichloro-phenyl)-[4-(4-isopropylsulfanyl-benzyl)-[1,4']bipiperidinyl-1'-yl]-methanone
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| Structure |
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| Formula |
C27H34Cl2N2OS
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| Molecular Weight |
505.555
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| Canonical SMILES |
CC(C)Sc1ccc(CC2CCN(CC2)C2CCN(CC2)C(=O)c2ccc(Cl)cc2Cl)cc1
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| InChI |
InChI=1S/C27H34Cl2N2OS/c1-19(2)33-24-6-3-20(4-7-24)17-21-9-13-30(14-10-21)23-11-15-31(16-12-23)27(32)25-8-5-22(28)18-26(25)29/h3-8,18-19,21,23H,9-17H2,1-2H3
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| InChIKey |
TVDLTEZIIJCATM-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