General Information of the Compound
| Compound ID |
CP0460059
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| Compound Name |
(R)-3-Amino-4-(2-fluoro-phenyl)-N-[4-(4-methyl-benzothiazol-2-yl)-1,1-dioxo-hexahydro-1lambda*6*-thiopyran-4-yl]-butyramide
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| Structure |
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| Formula |
C23H26FN3O3S2
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| Molecular Weight |
475.611
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| Canonical SMILES |
Cc1cccc2sc(nc12)C1(CCS(=O)(=O)CC1)NC(=O)C[C@H](N)Cc1ccccc1F
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| InChI |
InChI=1S/C23H26FN3O3S2/c1-15-5-4-8-19-21(15)26-22(31-19)23(9-11-32(29,30)12-10-23)27-20(28)14-17(25)13-16-6-2-3-7-18(16)24/h2-8,17H,9-14,25H2,1H3,(H,27,28)/t17-/m1/s1
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| InChIKey |
ARVBWWUWJULABI-QGZVFWFLSA-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