General Information of the Compound
| Compound ID |
CP0443865
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| Compound Name |
(2-Chloro-phenyl)-[4-(4-isopropylsulfanyl-benzyl)-[1,4']bipiperidinyl-1'-yl]-methanone
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| Structure |
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| Formula |
C27H35ClN2OS
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| Molecular Weight |
471.11
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| Canonical SMILES |
CC(C)Sc1ccc(CC2CCN(CC2)C2CCN(CC2)C(=O)c2ccccc2Cl)cc1
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| InChI |
InChI=1S/C27H35ClN2OS/c1-20(2)32-24-9-7-21(8-10-24)19-22-11-15-29(16-12-22)23-13-17-30(18-14-23)27(31)25-5-3-4-6-26(25)28/h3-10,20,22-23H,11-19H2,1-2H3
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| InChIKey |
BZKDMFLWGMQKIL-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