General Information of the Compound
| Compound ID |
CP0402566
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| Compound Name |
US9133168, Example 4d
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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 |
Cn1c(CC(=O)N2CCc3c2cccc3C(F)(F)F)nc(cc1=O)N1CCOCC1
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| InChI |
InChI=1S/C20H21F3N4O3/c1-25-16(24-17(12-18(25)28)26-7-9-30-10-8-26)11-19(29)27-6-5-13-14(20(21,22)23)3-2-4-15(13)27/h2-4,12H,5-11H2,1H3
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| InChIKey |
UAEXJTKMDIPBSF-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