General Information of the Compound
| Compound ID |
CP0523348
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| Compound Name |
US9365558, 43
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| Structure |
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| Formula |
C24H25F7N4O5S
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| Molecular Weight |
614.54
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| Canonical SMILES |
CC(C)n1ccc(n1)C1=C(C(=O)NS(C)(=O)=O)C(=O)N[C@@](C1)(c1ccc(OCCCC(F)(F)F)cc1F)C(F)(F)F
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| InChI |
InChI=1S/C24H25F7N4O5S/c1-13(2)35-9-7-18(33-35)15-12-22(24(29,30)31,32-20(36)19(15)21(37)34-41(3,38)39)16-6-5-14(11-17(16)25)40-10-4-8-23(26,27)28/h5-7,9,11,13H,4,8,10,12H2,1-3H3,(H,32,36)(H,34,37)/t22-/m0/s1
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| InChIKey |
KXAUWRZFTJVSLC-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