General Information of the Compound
| Compound ID |
CP0468112
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| Compound Name |
Biphenyl-2-yl-[4-(4-isopropylsulfanyl-benzyl)-[1,4']bipiperidinyl-1'-yl]-methanone
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| Structure |
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| Formula |
C33H40N2OS
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| Molecular Weight |
512.763
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| Canonical SMILES |
CC(C)Sc1ccc(CC2CCN(CC2)C2CCN(CC2)C(=O)c2ccccc2-c2ccccc2)cc1
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| InChI |
InChI=1S/C33H40N2OS/c1-25(2)37-30-14-12-26(13-15-30)24-27-16-20-34(21-17-27)29-18-22-35(23-19-29)33(36)32-11-7-6-10-31(32)28-8-4-3-5-9-28/h3-15,25,27,29H,16-24H2,1-2H3
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| InChIKey |
MDTMXEFHEMINEK-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