General Information of the Compound
| Compound ID |
CP0402562
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| Compound Name |
US9133168, Example 13b
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| Structure |
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| Formula |
C20H17FN4O3
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| Molecular Weight |
380.379
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| Canonical SMILES |
COc1cc(ccn1)-c1cc(=O)[nH]c(CC(=O)N2CCc3c2cccc3F)n1
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| InChI |
InChI=1S/C20H17FN4O3/c1-28-19-9-12(5-7-22-19)15-10-18(26)24-17(23-15)11-20(27)25-8-6-13-14(21)3-2-4-16(13)25/h2-5,7,9-10H,6,8,11H2,1H3,(H,23,24,26)
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| InChIKey |
DQBLIBNAIMHTJV-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