General Information of the Compound
| Compound ID |
CP0540944
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| Compound Name |
US9169224, 57
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| Structure |
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| Formula |
C22H22FN3O
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| Molecular Weight |
363.436
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| Canonical SMILES |
Fc1ccc(NC(=O)N2CCN(Cc3ccc4ccccc4c3)CC2)cc1
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| InChI |
InChI=1S/C22H22FN3O/c23-20-7-9-21(10-8-20)24-22(27)26-13-11-25(12-14-26)16-17-5-6-18-3-1-2-4-19(18)15-17/h1-10,15H,11-14,16H2,(H,24,27)
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| InChIKey |
CWISUMPTJOGLIV-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