General Information of the Compound
| Compound ID |
CP0959403
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| Compound Name |
N-{5-[(R)-2-(1-{4-[2-(1-Benzyl-piperidin-4-ylamino)-4-oxo-4H-thiazol-5-ylidenemethyl]-phenyl}-piperidin-4-ylamino)-1-hydroxy-ethyl]-2-hydroxy-phenyl}-methanesulfonamide
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| Structure |
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| Formula |
C36H44N6O5S2
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| Molecular Weight |
704.919
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| Canonical SMILES |
CS(=O)(=O)Nc1cc([C@@H](O)CNC2CCN(c3ccc(/C=C4\SC(NC5CCN(Cc6ccccc6)CC5)=NC4=O)cc3)CC2)ccc1O
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| InChI |
InChI=1S/C36H44N6O5S2/c1-49(46,47)40-31-22-27(9-12-32(31)43)33(44)23-37-28-15-19-42(20-16-28)30-10-7-25(8-11-30)21-34-35(45)39-36(48-34)38-29-13-17-41(18-14-29)24-26-5-3-2-4-6-26/h2-12,21-22,28-29,33,37,40,43-44H,13-20,23-24H2,1H3,(H,38,39,45)/b34-21-/t33-/m0/s1
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| InChIKey |
RYGZJWDFRONRKW-IMVYEIHXSA-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