General Information of the Compound
| Compound ID |
CP0574084
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| Compound Name |
US9278960, 4-85
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| Structure |
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| Formula |
C20H19F4N5O2
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| Molecular Weight |
437.397
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| Canonical SMILES |
NC(=O)c1cc(-c2cnn(CF)c2)c2ccc(CN3CCO[C@@H](C3)C(F)(F)F)cc2n1
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| InChI |
InChI=1S/C20H19F4N5O2/c21-11-29-9-13(7-26-29)15-6-17(19(25)30)27-16-5-12(1-2-14(15)16)8-28-3-4-31-18(10-28)20(22,23)24/h1-2,5-7,9,18H,3-4,8,10-11H2,(H2,25,30)/t18-/m0/s1
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| InChIKey |
NYDKXJPCFKVTFU-SFHVURJKSA-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