General Information of the Compound
| Compound ID |
CP0560030
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| Compound Name |
US9365558, 10
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| Structure |
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| Formula |
C28H30F6N2O5S2
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| Molecular Weight |
652.679
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| Canonical SMILES |
CCc1ccc(s1)C1=C(C(=O)NS(=O)(=O)C2CC2)C(=O)N[C@@](C1)(c1ccc(OCCCCCC(F)(F)F)cc1)C(F)(F)F
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| InChI |
InChI=1S/C28H30F6N2O5S2/c1-2-19-10-13-22(42-19)21-16-26(28(32,33)34,35-24(37)23(21)25(38)36-43(39,40)20-11-12-20)17-6-8-18(9-7-17)41-15-5-3-4-14-27(29,30)31/h6-10,13,20H,2-5,11-12,14-16H2,1H3,(H,35,37)(H,36,38)/t26-/m0/s1
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| InChIKey |
AOOPZRXNJQICPN-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