General Information of the Compound
| Compound ID |
CP0533929
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| Compound Name |
US10077266, Example 134
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| Structure |
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| Formula |
C23H30F2N6O
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| Molecular Weight |
444.53
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| Canonical SMILES |
CC(C)Nc1nc2CN(CCc2nc1N1CCN(Cc2ccc(F)cc2F)CC1)C(C)=O
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| InChI |
InChI=1S/C23H30F2N6O/c1-15(2)26-22-23(28-20-6-7-31(16(3)32)14-21(20)27-22)30-10-8-29(9-11-30)13-17-4-5-18(24)12-19(17)25/h4-5,12,15H,6-11,13-14H2,1-3H3,(H,26,27)
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| InChIKey |
OZCTVPBBFJSIPB-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