General Information of the Compound
| Compound ID |
CP0578561
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| Compound Name |
US9249085, I(ac)
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| Structure |
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| Formula |
C23H20F3NO3
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| Molecular Weight |
415.411
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| Canonical SMILES |
Cc1cc(OCC(O)=O)c(C)c(NCc2cc(ccc2F)-c2cccc(F)c2)c1F
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| InChI |
InChI=1S/C23H20F3NO3/c1-13-8-20(30-12-21(28)29)14(2)23(22(13)26)27-11-17-9-16(6-7-19(17)25)15-4-3-5-18(24)10-15/h3-10,27H,11-12H2,1-2H3,(H,28,29)
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| InChIKey |
MNYSCTFIPWXJIW-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