General Information of the Compound
| Compound ID |
CP0421229
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| Compound Name |
(R)-3-Amino-N-[4-(6-methoxy-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 |
C23H24F3N3O4S2
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| Molecular Weight |
527.59
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| Canonical SMILES |
COc1ccc2nc(sc2c1)C1(CCS(=O)(=O)CC1)NC(=O)C[C@H](N)Cc1cc(F)c(F)cc1F
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| InChI |
InChI=1S/C23H24F3N3O4S2/c1-33-15-2-3-19-20(11-15)34-22(28-19)23(4-6-35(31,32)7-5-23)29-21(30)10-14(27)8-13-9-17(25)18(26)12-16(13)24/h2-3,9,11-12,14H,4-8,10,27H2,1H3,(H,29,30)/t14-/m1/s1
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| InChIKey |
YJBDNLXXSLEIDJ-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