General Information of the Compound
| Compound ID |
CP0446246
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| Compound Name |
US10668051, Compound Example 104
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| Structure |
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| Formula |
C20H17F3N4O
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| Molecular Weight |
386.377
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| Canonical SMILES |
Cc1ccccc1C(=O)Nc1ccc(nc1)-n1nc(cc1C1CC1)C(F)(F)F
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| InChI |
InChI=1S/C20H17F3N4O/c1-12-4-2-3-5-15(12)19(28)25-14-8-9-18(24-11-14)27-16(13-6-7-13)10-17(26-27)20(21,22)23/h2-5,8-11,13H,6-7H2,1H3,(H,25,28)
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| InChIKey |
NETRIIZSLUUEKM-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