General Information of the Compound
| Compound ID |
CP0567779
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| Compound Name |
US10806720, Compound 1044
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| Structure |
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| Formula |
C20H15F4N5O2
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| Molecular Weight |
433.365
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| Canonical SMILES |
C[C@](O)(Cn1nncc1-c1ccc(F)cc1)C(=O)Nc1ccc(C#N)c(c1)C(F)(F)F
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| InChI |
InChI=1S/C20H15F4N5O2/c1-19(31,11-29-17(10-26-28-29)12-2-5-14(21)6-3-12)18(30)27-15-7-4-13(9-25)16(8-15)20(22,23)24/h2-8,10,31H,11H2,1H3,(H,27,30)/t19-/m0/s1
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| InChIKey |
ANWMMCFSCHWTDE-IBGZPJMESA-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