General Information of the Compound
| Compound ID |
CP0564098
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| Compound Name |
US9365558, 47
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| Structure |
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| Formula |
C24H23F7N4O5S
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| Molecular Weight |
612.524
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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)c1ccn(n1)C1CC1
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| InChI |
InChI=1S/C24H23F7N4O5S/c1-41(38,39)34-21(37)19-15(18-7-9-35(33-18)13-3-4-13)12-22(24(29,30)31,32-20(19)36)16-6-5-14(11-17(16)25)40-10-2-8-23(26,27)28/h5-7,9,11,13H,2-4,8,10,12H2,1H3,(H,32,36)(H,34,37)/t22-/m0/s1
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| InChIKey |
GTHDMYANFFFWGL-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