General Information of the Compound
| Compound ID |
CP0539981
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| Compound Name |
US9163011, 17
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| Structure |
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| Formula |
C19H17F3N6O3
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| Molecular Weight |
434.378
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| Canonical SMILES |
C[C@@]1(N=C(N)OCC1(F)F)c1nc(NC(=O)c2ncc(cc2N)C#CCO)ccc1F
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| InChI |
InChI=1S/C19H17F3N6O3/c1-18(19(21,22)9-31-17(24)28-18)15-11(20)4-5-13(26-15)27-16(30)14-12(23)7-10(8-25-14)3-2-6-29/h4-5,7-8,29H,6,9,23H2,1H3,(H2,24,28)(H,26,27,30)/t18-/m1/s1
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| InChIKey |
LPHMJKHHQPFBCQ-GOSISDBHSA-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