General Information of the Compound
| Compound ID |
CP0519911
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| Compound Name |
US9365558, 30
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| Structure |
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| Formula |
C25H21F9N2O5S
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| Molecular Weight |
632.501
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| Canonical SMILES |
Cc1ccc(cc1)C1=C(C(=O)NS(=O)(=O)C(F)(F)F)C(=O)N[C@@](C1)(c1ccc(OCCCC(F)(F)F)cc1)C(F)(F)F
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| InChI |
InChI=1S/C25H21F9N2O5S/c1-14-3-5-15(6-4-14)18-13-22(24(29,30)31,16-7-9-17(10-8-16)41-12-2-11-23(26,27)28)35-20(37)19(18)21(38)36-42(39,40)25(32,33)34/h3-10H,2,11-13H2,1H3,(H,35,37)(H,36,38)/t22-/m0/s1
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| InChIKey |
OLNOXOIQMJSGBN-QFIPXVFZSA-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