General Information of the Compound
| Compound ID |
CP0544712
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| Compound Name |
US9051311, 52
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| Structure |
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| Formula |
C25H24F3N5O2S
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| Molecular Weight |
515.561
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| Canonical SMILES |
FC(F)(F)c1ccc(c(c1)C1=CCNCC1)-c1cccc2CN(CCc12)S(=O)(=O)Nc1cnccn1
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| InChI |
InChI=1S/C25H24F3N5O2S/c26-25(27,28)19-4-5-22(23(14-19)17-6-9-29-10-7-17)21-3-1-2-18-16-33(13-8-20(18)21)36(34,35)32-24-15-30-11-12-31-24/h1-6,11-12,14-15,29H,7-10,13,16H2,(H,31,32)
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| InChIKey |
ZWZMMLBRDDMXDG-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