General Information of the Compound
| Compound ID |
CP0482724
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| Compound Name |
US9586948, Example 18
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| Structure |
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| Formula |
C18H16F3N7O2
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| Molecular Weight |
419.367
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| Canonical SMILES |
Cn1cc(NC(=O)c2cccc(n2)-c2ccnc(NCC(F)(F)F)c2)c(n1)C(N)=O
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| InChI |
InChI=1S/C18H16F3N7O2/c1-28-8-13(15(27-28)16(22)29)26-17(30)12-4-2-3-11(25-12)10-5-6-23-14(7-10)24-9-18(19,20)21/h2-8H,9H2,1H3,(H2,22,29)(H,23,24)(H,26,30)
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| InChIKey |
JQZUSJYRIXIMFS-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