General Information of the Compound
| Compound ID |
CP0561577
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| Compound Name |
US9315498, 71
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| Structure |
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| Formula |
C20H18FN3O
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| Molecular Weight |
335.382
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| Canonical SMILES |
Fc1cccc(c1)C#Cc1ccc(nc1)N1CC2CCCCN2C1=O
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| InChI |
InChI=1S/C20H18FN3O/c21-17-5-3-4-15(12-17)7-8-16-9-10-19(22-13-16)24-14-18-6-1-2-11-23(18)20(24)25/h3-5,9-10,12-13,18H,1-2,6,11,14H2
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| InChIKey |
GHNMHKMPMMEWPQ-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