General Information of the Compound
| Compound ID |
CP0521670
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| Compound Name |
US9187424, 225
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| Structure |
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| Formula |
C24H21F6N3O4S
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| Molecular Weight |
561.504
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| Canonical SMILES |
COOSNc1ccc(cc1)C1=C(C#N)C(=O)NC(C1)(c1ccc(OCCCC(F)(F)F)cc1)C(F)(F)F
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| InChI |
InChI=1S/C24H21F6N3O4S/c1-35-37-38-33-17-7-3-15(4-8-17)19-13-22(24(28,29)30,32-21(34)20(19)14-31)16-5-9-18(10-6-16)36-12-2-11-23(25,26)27/h3-10,33H,2,11-13H2,1H3,(H,32,34)
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| InChIKey |
NSZVYGFLRUZXHN-UHFFFAOYSA-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