General Information of the Compound
| Compound ID |
CP0457284
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| Compound Name |
4-[4-(4-Isopropylsulfanyl-benzyl)-[1,4']bipiperidinyl-1'-carbonyl]-benzenesulfonamide
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| Structure |
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| Formula |
C27H37N3O3S2
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| Molecular Weight |
515.745
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| Canonical SMILES |
CC(C)Sc1ccc(CC2CCN(CC2)C2CCN(CC2)C(=O)c2ccc(cc2)S(N)(=O)=O)cc1
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| InChI |
InChI=1S/C27H37N3O3S2/c1-20(2)34-25-7-3-21(4-8-25)19-22-11-15-29(16-12-22)24-13-17-30(18-14-24)27(31)23-5-9-26(10-6-23)35(28,32)33/h3-10,20,22,24H,11-19H2,1-2H3,(H2,28,32,33)
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| InChIKey |
QAJIIXYFSKAGCA-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