General Information of the Compound
| Compound ID |
CP0414488
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| Compound Name |
US9365558, 65
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| Structure |
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| Formula |
C25H23F7N2O5S2
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| Molecular Weight |
628.588
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| Canonical SMILES |
CS(=O)(=O)NC(=O)C1=C(C[C@](NC1=O)(c1ccc(OCCCC(F)(F)F)cc1F)C(F)(F)F)c1ccc(s1)C1CC1
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| InChI |
InChI=1S/C25H23F7N2O5S2/c1-41(37,38)34-22(36)20-15(19-8-7-18(40-19)13-3-4-13)12-23(25(30,31)32,33-21(20)35)16-6-5-14(11-17(16)26)39-10-2-9-24(27,28)29/h5-8,11,13H,2-4,9-10,12H2,1H3,(H,33,35)(H,34,36)/t23-/m0/s1
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| InChIKey |
ABYBCHBDSCFAFJ-QHCPKHFHSA-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