General Information of the Compound
| Compound ID |
CP0396593
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| Compound Name |
N-[5-[[7-cyano-2-[[2-[2-[2-[2-oxo-2-(1,3-thiazol-2-ylamino)ethoxy]ethoxy]ethoxy]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 |
C34H28F4N6O7S2
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| Molecular Weight |
772.759
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| Canonical SMILES |
Fc1ccc(Oc2ccc3nc(NC(=O)COCCOCCOCC(=O)Nc4nccs4)sc3c2C#N)cc1NC(=O)Cc1cccc(c1)C(F)(F)F
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| InChI |
InChI=1S/C34H28F4N6O7S2/c35-24-5-4-22(16-26(24)41-28(45)15-20-2-1-3-21(14-20)34(36,37)38)51-27-7-6-25-31(23(27)17-39)53-33(42-25)44-30(47)19-50-12-10-48-9-11-49-18-29(46)43-32-40-8-13-52-32/h1-8,13-14,16H,9-12,15,18-19H2,(H,41,45)(H,40,43,46)(H,42,44,47)
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| InChIKey |
INNXWBBSCJMXOK-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