General Information of the Compound
| Compound ID |
CP0419863
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| Compound Name |
US9233953, 32
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| Structure |
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| Formula |
C20H20F5N3O4S
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| Molecular Weight |
493.454
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| Canonical SMILES |
Fc1ccc(cc1F)C1CN(CCN1C(=O)C1CCS(=O)(=O)CC1)c1cc(on1)C(F)(F)F
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| InChI |
InChI=1S/C20H20F5N3O4S/c21-14-2-1-13(9-15(14)22)16-11-27(18-10-17(32-26-18)20(23,24)25)5-6-28(16)19(29)12-3-7-33(30,31)8-4-12/h1-2,9-10,12,16H,3-8,11H2
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| InChIKey |
DHELUAVHLULBNQ-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