General Information of the Compound
| Compound ID |
CP0441613
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| Compound Name |
(R)-3-Amino-N-(4-benzothiazol-2-yl-1,1-dioxo-hexahydro-1lambda*6*-thiopyran-4-yl)-4-(2-fluoro-phenyl)-butyramide
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| Structure |
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| Formula |
C22H24FN3O3S2
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| Molecular Weight |
461.584
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| Canonical SMILES |
N[C@@H](CC(=O)NC1(CCS(=O)(=O)CC1)c1nc2ccccc2s1)Cc1ccccc1F
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| InChI |
InChI=1S/C22H24FN3O3S2/c23-17-6-2-1-5-15(17)13-16(24)14-20(27)26-22(9-11-31(28,29)12-10-22)21-25-18-7-3-4-8-19(18)30-21/h1-8,16H,9-14,24H2,(H,26,27)/t16-/m1/s1
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| InChIKey |
UZSAMMRVHOZRFG-MRXNPFEDSA-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