General Information of the Compound
| Compound ID |
CP0576604
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| Compound Name |
US8846658, 70
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| Structure |
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| Formula |
C19H16F4N6O2
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| Molecular Weight |
436.369
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| Canonical SMILES |
C[C@]1(CO[C@](C)(C(N)=N1)C(F)(F)F)c1cc(NC(=O)c2ncc(cn2)C#N)ccc1F
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| InChI |
InChI=1S/C19H16F4N6O2/c1-17(9-31-18(2,16(25)29-17)19(21,22)23)12-5-11(3-4-13(12)20)28-15(30)14-26-7-10(6-24)8-27-14/h3-5,7-8H,9H2,1-2H3,(H2,25,29)(H,28,30)/t17-,18+/m0/s1
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| InChIKey |
KSZDQDUDHWUQCJ-ZWKOTPCHSA-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