General Information of the Compound
| Compound ID |
CP0516560
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| Compound Name |
4-(4-chlorophenyl)-1-[1-(2-chlorophenyl)sulfonylpiperidin-4-yl]azepan-4-ol
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| Structure |
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| Formula |
C23H28Cl2N2O3S
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| Molecular Weight |
483.461
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| Canonical SMILES |
OC1(CCCN(CC1)C1CCN(CC1)S(=O)(=O)c1ccccc1Cl)c1ccc(Cl)cc1
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| InChI |
InChI=1S/C23H28Cl2N2O3S/c24-19-8-6-18(7-9-19)23(28)12-3-14-26(17-13-23)20-10-15-27(16-11-20)31(29,30)22-5-2-1-4-21(22)25/h1-2,4-9,20,28H,3,10-17H2
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| InChIKey |
LSJKGCBBXDLQIF-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