General Information of the Compound
| Compound ID |
CP0428809
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| Compound Name |
US9409917, 92
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| Structure |
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| Formula |
C20H21F3N4O3
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| Molecular Weight |
422.407
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| Canonical SMILES |
FC(F)(F)c1ccc(cn1)C(CNC(=O)C1COc2ncccc12)N1CCOCC1
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| InChI |
InChI=1S/C20H21F3N4O3/c21-20(22,23)17-4-3-13(10-25-17)16(27-6-8-29-9-7-27)11-26-18(28)15-12-30-19-14(15)2-1-5-24-19/h1-5,10,15-16H,6-9,11-12H2,(H,26,28)
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| InChIKey |
XXWWSCLZNBOIMM-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