General Information of the Compound
| Compound ID |
CP0523349
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| Compound Name |
US9365558, 62
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| Structure |
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| Formula |
C28H28F6N2O5S2
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| Molecular Weight |
650.663
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| Canonical SMILES |
FC(F)(F)CCCCOc1ccc(cc1)[C@@]1(CC(c2ccc(s2)C2CC2)=C(C(=O)NS(=O)(=O)C2CC2)C(=O)N1)C(F)(F)F
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| InChI |
InChI=1S/C28H28F6N2O5S2/c29-27(30,31)13-1-2-14-41-18-7-5-17(6-8-18)26(28(32,33)34)15-20(22-12-11-21(42-22)16-3-4-16)23(24(37)35-26)25(38)36-43(39,40)19-9-10-19/h5-8,11-12,16,19H,1-4,9-10,13-15H2,(H,35,37)(H,36,38)/t26-/m0/s1
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| InChIKey |
VPEDLNYXFRASRC-SANMLTNESA-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