General Information of the Compound
| Compound ID |
CP0576398
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| Compound Name |
US9278960, 3-19
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| Structure |
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| Formula |
C22H18F4N6O2
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| Molecular Weight |
474.418
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| Canonical SMILES |
CC[C@](O)(c1cn(Cc2ccc3c(cc(nc3c2)C(N)=O)-c2cccnc2F)nn1)C(F)(F)F
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| InChI |
InChI=1S/C22H18F4N6O2/c1-2-21(34,22(24,25)26)18-11-32(31-30-18)10-12-5-6-13-15(14-4-3-7-28-19(14)23)9-17(20(27)33)29-16(13)8-12/h3-9,11,34H,2,10H2,1H3,(H2,27,33)/t21-/m0/s1
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| InChIKey |
NBQMFMOLSXMPRR-NRFANRHFSA-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