General Information of the Compound
| Compound ID |
CP0576483
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| Compound Name |
US9365558, 19
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| Structure |
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| Formula |
C26H26F6N2O5S
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| Molecular Weight |
592.558
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| Canonical SMILES |
CCS(=O)(=O)NC(=O)C1=C(C[C@](NC1=O)(c1ccc(OCCCC(F)(F)F)cc1)C(F)(F)F)c1ccc(C)cc1
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| InChI |
InChI=1S/C26H26F6N2O5S/c1-3-40(37,38)34-23(36)21-20(17-7-5-16(2)6-8-17)15-24(26(30,31)32,33-22(21)35)18-9-11-19(12-10-18)39-14-4-13-25(27,28)29/h5-12H,3-4,13-15H2,1-2H3,(H,33,35)(H,34,36)/t24-/m0/s1
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| InChIKey |
MJRIUKGUSFBAQN-DEOSSOPVSA-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