General Information of the Compound
| Compound ID |
CP0446227
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| Compound Name |
US10028961, Compound 265
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| Structure |
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| Formula |
C22H23ClF4N6
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| Molecular Weight |
482.913
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| Canonical SMILES |
FC1(F)CC2(CC(C2)Nc2nc(NC3CC4(C3)CC(F)(F)C4)nc(n2)-c2cccc(Cl)n2)C1
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| InChI |
InChI=1S/C22H23ClF4N6/c23-15-3-1-2-14(30-15)16-31-17(28-12-4-19(5-12)8-21(24,25)9-19)33-18(32-16)29-13-6-20(7-13)10-22(26,27)11-20/h1-3,12-13H,4-11H2,(H2,28,29,31,32,33)
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| InChIKey |
PBFHHOMGSNGWEC-UHFFFAOYSA-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