General Information of the Compound
| Compound ID |
CP0409257
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| Compound Name |
US9365558, 93
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| Structure |
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| Formula |
C26H28F6N4O4S
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| Molecular Weight |
606.589
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| Canonical SMILES |
Cc1ccc(cc1)C1=C(C(=O)NS(=O)(=O)C2CC2)C(=O)N[C@@](C1)(c1cnn(CCCCCC(F)(F)F)c1)C(F)(F)F
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| InChI |
InChI=1S/C26H28F6N4O4S/c1-16-5-7-17(8-6-16)20-13-24(26(30,31)32,18-14-33-36(15-18)12-4-2-3-11-25(27,28)29)34-22(37)21(20)23(38)35-41(39,40)19-9-10-19/h5-8,14-15,19H,2-4,9-13H2,1H3,(H,34,37)(H,35,38)/t24-/m0/s1
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| InChIKey |
VUOWUCAKXYBWLC-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