General Information of the Compound
| Compound ID |
CP0577826
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| Compound Name |
US8889668, I61
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| Structure |
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| Formula |
C21H17F6N3O2
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| Molecular Weight |
457.374
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| Canonical SMILES |
FC(F)(F)Oc1ccccc1-c1noc(n1)-c1ccc(N2CCCCC2)c(c1)C(F)(F)F
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| InChI |
InChI=1S/C21H17F6N3O2/c22-20(23,24)15-12-13(8-9-16(15)30-10-4-1-5-11-30)19-28-18(29-32-19)14-6-2-3-7-17(14)31-21(25,26)27/h2-3,6-9,12H,1,4-5,10-11H2
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| InChIKey |
ASTLPXOQIQABJF-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