General Information of the Compound
| Compound ID |
CP0346327
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| Compound Name |
N-[5-[[7-cyano-2-[[2-(2-methoxyethoxy)acetyl]amino]-1,3-benzothiazol-6-yl]oxy]-2-fluorophenyl]-2-[3-(trifluoromethyl)phenyl]acetamide
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| Structure |
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| Formula |
C28H22F4N4O5S
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| Molecular Weight |
602.566
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| Canonical SMILES |
COCCOCC(=O)Nc1nc2ccc(Oc3ccc(F)c(NC(=O)Cc4cccc(c4)C(F)(F)F)c3)c(C#N)c2s1
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| InChI |
InChI=1S/C28H22F4N4O5S/c1-39-9-10-40-15-25(38)36-27-35-21-7-8-23(19(14-33)26(21)42-27)41-18-5-6-20(29)22(13-18)34-24(37)12-16-3-2-4-17(11-16)28(30,31)32/h2-8,11,13H,9-10,12,15H2,1H3,(H,34,37)(H,35,36,38)
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| InChIKey |
OIBKDKVYIBWUMX-UHFFFAOYSA-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