General Information of the Compound
| Compound ID |
CP0256542
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| Compound Name |
US8680275, 93
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| Structure |
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| Formula |
C20H19F3N8O
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| Molecular Weight |
444.421
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| Canonical SMILES |
Cc1ccc(C(=O)N2CC[C@H]3CN([C@H]3C2)c2nccc(n2)C(F)(F)F)c(n1)-n1ccnn1
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| InChI |
InChI=1S/C20H19F3N8O/c1-12-2-3-14(17(26-12)31-9-7-25-28-31)18(32)29-8-5-13-10-30(15(13)11-29)19-24-6-4-16(27-19)20(21,22)23/h2-4,6-7,9,13,15H,5,8,10-11H2,1H3/t13-,15-/m0/s1
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| InChIKey |
FCTUBUGTPHYNDM-ZFWWWQNUSA-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