General Information of the Compound
| Compound ID |
CP0536827
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| Compound Name |
US9233953, 18
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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 |
Fc1cccc(C2CN(CCN2C(=O)C2CCS(=O)(=O)CC2)c2cc(on2)C(F)(F)F)c1F
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| InChI |
InChI=1S/C20H20F5N3O4S/c21-14-3-1-2-13(18(14)22)15-11-27(17-10-16(32-26-17)20(23,24)25)6-7-28(15)19(29)12-4-8-33(30,31)9-5-12/h1-3,10,12,15H,4-9,11H2
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| InChIKey |
YTLUKWXDWZGNJB-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