General Information of the Compound
| Compound ID |
CP0511414
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| Compound Name |
(R)-3-Amino-N-(4-benzothiazol-2-yl-1,1-dioxo-hexahydro-1lambda*6*-thiopyran-4-yl)-4-(2,4,5-trifluoro-phenyl)-butyramide
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| Structure |
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| Formula |
C22H22F3N3O3S2
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| Molecular Weight |
497.564
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| Canonical SMILES |
N[C@@H](CC(=O)NC1(CCS(=O)(=O)CC1)c1nc2ccccc2s1)Cc1cc(F)c(F)cc1F
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| InChI |
InChI=1S/C22H22F3N3O3S2/c23-15-12-17(25)16(24)10-13(15)9-14(26)11-20(29)28-22(5-7-33(30,31)8-6-22)21-27-18-3-1-2-4-19(18)32-21/h1-4,10,12,14H,5-9,11,26H2,(H,28,29)/t14-/m1/s1
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| InChIKey |
RLNFYSABAXZGGZ-CQSZACIVSA-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