General Information of the Compound
| Compound ID |
CP0515238
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| Compound Name |
US9434725, 178
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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)-c1cncc(n1)N1CCCNCC1
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| InChI |
InChI=1S/C20H20F3N9/c21-20(22,23)13-31-12-15(9-27-31)16-6-17-14(7-26-16)8-28-32(17)19-11-25-10-18(29-19)30-4-1-2-24-3-5-30/h6-12,24H,1-5,13H2
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| InChIKey |
MYYHUGRZNUGCBD-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