General Information of the Compound
| Compound ID |
CP0477413
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| Compound Name |
US10077266, Example 77
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| Structure |
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| Formula |
C25H33F3N6O
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| Molecular Weight |
490.574
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| Canonical SMILES |
CC(C)Nc1nc2CN(CCc2nc1N1CCC(CC1)C(F)c1ccc(F)cc1F)C(=O)N(C)C
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| InChI |
InChI=1S/C25H33F3N6O/c1-15(2)29-23-24(31-20-9-12-34(14-21(20)30-23)25(35)32(3)4)33-10-7-16(8-11-33)22(28)18-6-5-17(26)13-19(18)27/h5-6,13,15-16,22H,7-12,14H2,1-4H3,(H,29,30)
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| InChIKey |
WEWPKQJONYAZFF-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