General Information of the Compound
| Compound ID |
CP0570655
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| Compound Name |
US9255103, 53
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| Structure |
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| Formula |
C21H17F4N3O2
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| Molecular Weight |
419.378
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| Canonical SMILES |
Fc1ccc(cc1)C(=O)N1CCn2nc(COc3ccccc3)cc2C1C(F)(F)F
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| InChI |
InChI=1S/C21H17F4N3O2/c22-15-8-6-14(7-9-15)20(29)27-10-11-28-18(19(27)21(23,24)25)12-16(26-28)13-30-17-4-2-1-3-5-17/h1-9,12,19H,10-11,13H2
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| InChIKey |
OGACDUCHEFKXNL-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