General Information of the Compound
| Compound ID |
CP0453621
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| Compound Name |
(R)-3-Amino-N-{4-[6-(2-morpholin-4-yl-ethoxy)-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 |
C28H33F3N4O5S2
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| Molecular Weight |
626.723
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| Canonical SMILES |
N[C@@H](CC(=O)NC1(CCS(=O)(=O)CC1)c1nc2ccc(OCCN3CCOCC3)cc2s1)Cc1cc(F)c(F)cc1F
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| InChI |
InChI=1S/C28H33F3N4O5S2/c29-21-17-23(31)22(30)14-18(21)13-19(32)15-26(36)34-28(3-11-42(37,38)12-4-28)27-33-24-2-1-20(16-25(24)41-27)40-10-7-35-5-8-39-9-6-35/h1-2,14,16-17,19H,3-13,15,32H2,(H,34,36)/t19-/m1/s1
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| InChIKey |
IYUPXGCAYGHRFG-LJQANCHMSA-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