General Information of the Compound
| Compound ID |
CP0403527
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| Compound Name |
4-(4-{2-[(S)-2-Hydroxy-3-(4-hydroxy-3-methanesulfonylamino-phenoxy)-propylamino]-ethyl}-phenylamino)-piperidine-1-carboxylic acid octylamide
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| Structure |
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| Formula |
C32H51N5O6S
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| Molecular Weight |
633.856
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| Canonical SMILES |
CCCCCCCCNC(=O)N1CCC(CC1)Nc1ccc(CCNC[C@H](O)COc2ccc(O)c(NS(C)(=O)=O)c2)cc1
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| InChI |
InChI=1S/C32H51N5O6S/c1-3-4-5-6-7-8-18-34-32(40)37-20-16-27(17-21-37)35-26-11-9-25(10-12-26)15-19-33-23-28(38)24-43-29-13-14-31(39)30(22-29)36-44(2,41)42/h9-14,22,27-28,33,35-36,38-39H,3-8,15-21,23-24H2,1-2H3,(H,34,40)/t28-/m0/s1
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| InChIKey |
VTKBGPAEUYGDDJ-NDEPHWFRSA-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