General Information of the Compound
| Compound ID |
CP0431156
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| Compound Name |
N-[2-hydroxy-5-[(2S)-2-hydroxy-3-[[1-[4-[(Z)-(4-oxo-2-piperidin-1-yl-1,3-thiazol-5-ylidene)methyl]phenyl]piperidin-4-yl]amino]propoxy]phenyl]methanesulfonamide
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| Structure |
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| Formula |
C30H39N5O6S2
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| Molecular Weight |
629.805
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| Canonical SMILES |
CS(=O)(=O)Nc1cc(OC[C@@H](O)CNC2CCN(CC2)c2ccc(\C=C3/SC(=NC3=O)N3CCCCC3)cc2)ccc1O
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| InChI |
InChI=1S/C30H39N5O6S2/c1-43(39,40)33-26-18-25(9-10-27(26)37)41-20-24(36)19-31-22-11-15-34(16-12-22)23-7-5-21(6-8-23)17-28-29(38)32-30(42-28)35-13-3-2-4-14-35/h5-10,17-18,22,24,31,33,36-37H,2-4,11-16,19-20H2,1H3/b28-17-/t24-/m0/s1
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| InChIKey |
SSXQWBKAUHDGSW-VNIQIGACSA-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