General Information of the Compound
| Compound ID |
CP0921865
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| Compound Name |
N-[5-((R)-2-{1-[4-(2-Cyanoamino-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 |
C25H28N6O5S2
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| Molecular Weight |
556.67
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| Canonical SMILES |
CS(=O)(=O)Nc1cc([C@@H](O)CNC2CCN(c3ccc(/C=C4\SC(NC#N)=NC4=O)cc3)CC2)ccc1O
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| InChI |
InChI=1S/C25H28N6O5S2/c1-38(35,36)30-20-13-17(4-7-21(20)32)22(33)14-27-18-8-10-31(11-9-18)19-5-2-16(3-6-19)12-23-24(34)29-25(37-23)28-15-26/h2-7,12-13,18,22,27,30,32-33H,8-11,14H2,1H3,(H,28,29,34)/b23-12-/t22-/m0/s1
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| InChIKey |
HURVPTVUCFGPMY-PARNTHTPSA-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