General Information of the Compound
| Compound ID |
CP0426359
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| Compound Name |
US9365558, 14
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| Structure |
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| Formula |
C25H22F8N2O6S
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| Molecular Weight |
630.51
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| Canonical SMILES |
CS(=O)(=O)NC(=O)C1=C(C[C@](NC1=O)(c1ccc(OCCCC(F)(F)F)cc1)C(F)(F)F)c1ccc(OC(F)F)cc1
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| InChI |
InChI=1S/C25H22F8N2O6S/c1-42(38,39)35-21(37)19-18(14-3-7-17(8-4-14)41-22(26)27)13-23(25(31,32)33,34-20(19)36)15-5-9-16(10-6-15)40-12-2-11-24(28,29)30/h3-10,22H,2,11-13H2,1H3,(H,34,36)(H,35,37)/t23-/m0/s1
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| InChIKey |
FEYBZEXUDDSPDZ-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