General Information of the Compound
| Compound ID |
CP0453894
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| Compound Name |
N-[2-hydroxy-5-[(1R)-1-hydroxy-2-[[1-[4-[(Z)-(4-oxo-2-piperidin-1-yl-1,3-thiazol-5-ylidene)methyl]phenyl]piperidin-4-yl]amino]ethyl]phenyl]methanesulfonamide
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| Structure |
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| Formula |
C29H37N5O5S2
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| Molecular Weight |
599.779
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| Canonical SMILES |
CS(=O)(=O)Nc1cc(ccc1O)[C@@H](O)CNC1CCN(CC1)c1ccc(\C=C2/SC(=NC2=O)N2CCCCC2)cc1
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| InChI |
InChI=1S/C29H37N5O5S2/c1-41(38,39)32-24-18-21(7-10-25(24)35)26(36)19-30-22-11-15-33(16-12-22)23-8-5-20(6-9-23)17-27-28(37)31-29(40-27)34-13-3-2-4-14-34/h5-10,17-18,22,26,30,32,35-36H,2-4,11-16,19H2,1H3/b27-17-/t26-/m0/s1
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| InChIKey |
IGWMNIQFTONRGL-MODQRLIRSA-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