General Information of the Compound
| Compound ID |
CP0443653
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| Compound Name |
US8637502, 20
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| Structure |
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| Formula |
C22H30FN3O2
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| Molecular Weight |
387.499
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| Canonical SMILES |
Fc1cccc2N(C3CCN(CC3)C3CCCCCCC3)C(=O)CC(=O)Nc12
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| InChI |
InChI=1S/C22H30FN3O2/c23-18-9-6-10-19-22(18)24-20(27)15-21(28)26(19)17-11-13-25(14-12-17)16-7-4-2-1-3-5-8-16/h6,9-10,16-17H,1-5,7-8,11-15H2,(H,24,27)
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| InChIKey |
OGIGRMUUQSTBDY-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