General Information of the Compound
| Compound ID |
CP0074799
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| Compound Name |
1'-[3-(3,4-dichlorophenyl)-4-methyl(8-quinolyl)sulfonamido-(3S)-butyl]spiro[2,3-dihydrobenzo[b]thiophene-1-oxide-3,4'-(hexahydropyridine)]
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| Structure |
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| Formula |
C32H33Cl2N3O3S2
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| Molecular Weight |
642.674
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| Canonical SMILES |
CN(C[C@@H](CCN1CCC2(CS(=O)c3ccccc23)CC1)c1ccc(Cl)c(Cl)c1)S(=O)(=O)c1cccc2cccnc12
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| InChI |
InChI=1S/C32H33Cl2N3O3S2/c1-36(42(39,40)30-10-4-6-23-7-5-16-35-31(23)30)21-25(24-11-12-27(33)28(34)20-24)13-17-37-18-14-32(15-19-37)22-41(38)29-9-3-2-8-26(29)32/h2-12,16,20,25H,13-15,17-19,21-22H2,1H3/t25-,41?/m1/s1
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| InChIKey |
SHRJWZUAWVEGAF-GXIPDCQLSA-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