General Information of the Compound
| Compound ID |
CP0906777
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| Compound Name |
US9133168, Example 11b
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| Structure |
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| Formula |
C21H23FN4O3
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| Molecular Weight |
398.438
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| Canonical SMILES |
O=C(Cc1nc(N2CCOC3CCCC32)cc(=O)[nH]1)N1CCc2c(F)cccc21
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| InChI |
InChI=1S/C21H23FN4O3/c22-14-3-1-4-15-13(14)7-8-26(15)21(28)11-18-23-19(12-20(27)24-18)25-9-10-29-17-6-2-5-16(17)25/h1,3-4,12,16-17H,2,5-11H2,(H,23,24,27)
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| InChIKey |
KLGWFAJSIIOCJP-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