General Information of the Compound
| Compound ID |
CP0553943
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| Compound Name |
Compound 1-28
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| Structure |
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| Formula |
C19H19F3N4O4
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| Molecular Weight |
424.379
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| Canonical SMILES |
NCc1cc(Oc2cccc(c2)C(=O)NCCN2CCOC2=O)nc(c1)C(F)(F)F
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| InChI |
InChI=1S/C19H19F3N4O4/c20-19(21,22)15-8-12(11-23)9-16(25-15)30-14-3-1-2-13(10-14)17(27)24-4-5-26-6-7-29-18(26)28/h1-3,8-10H,4-7,11,23H2,(H,24,27)
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| InChIKey |
FVQKGQNSCKJPIJ-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