General Information of the Compound
| Compound ID |
CP0512663
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| Compound Name |
US9187437, 17
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| Structure |
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| Formula |
C22H22F2N2O
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| Molecular Weight |
368.427
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| Canonical SMILES |
Fc1ccc(-c2noc(CCC3(CCCCC3)c3ccccc3)n2)c(F)c1
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| InChI |
InChI=1S/C22H22F2N2O/c23-17-9-10-18(19(24)15-17)21-25-20(27-26-21)11-14-22(12-5-2-6-13-22)16-7-3-1-4-8-16/h1,3-4,7-10,15H,2,5-6,11-14H2
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| InChIKey |
IEHOOLMQRMNLOQ-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