General Information of the Compound
| Compound ID |
CP0519477
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| Compound Name |
US9266876, 5
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| Structure |
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| Formula |
C20H18F3N7OS
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| Molecular Weight |
461.473
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| Canonical SMILES |
FC(F)(F)c1ccn(CC(=O)N2CCN(CC2)c2scnc2-c2nc3ccccc3[nH]2)n1
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| InChI |
InChI=1S/C20H18F3N7OS/c21-20(22,23)15-5-6-30(27-15)11-16(31)28-7-9-29(10-8-28)19-17(24-12-32-19)18-25-13-3-1-2-4-14(13)26-18/h1-6,12H,7-11H2,(H,25,26)
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| InChIKey |
HJNKVIYKENHVBP-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