General Information of the Compound
| Compound ID |
CP0479635
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| Compound Name |
US9434725, 179
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| Structure |
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| Formula |
C20H20F3N9
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| Molecular Weight |
443.437
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| Canonical SMILES |
FC(F)(F)Cn1cc(cn1)-c1cc2n(ncc2cn1)-c1ccnc(n1)N1CCCNCC1
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| InChI |
InChI=1S/C20H20F3N9/c21-20(22,23)13-31-12-15(11-27-31)16-8-17-14(9-26-16)10-28-32(17)18-2-4-25-19(29-18)30-6-1-3-24-5-7-30/h2,4,8-12,24H,1,3,5-7,13H2
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| InChIKey |
DPERSSXJBGKIEL-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