General Information of the Compound
| Compound ID |
CP0426305
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| Compound Name |
US9212165, 3
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| Structure |
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| Formula |
C21H20FN3O
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| Molecular Weight |
349.409
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| Canonical SMILES |
Fc1cccc(c1)C#CC12CCC(C1)(CCC2)NC(=O)c1cnccn1
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| InChI |
InChI=1S/C21H20FN3O/c22-17-4-1-3-16(13-17)5-8-20-6-2-7-21(15-20,10-9-20)25-19(26)18-14-23-11-12-24-18/h1,3-4,11-14H,2,6-7,9-10,15H2,(H,25,26)
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| InChIKey |
XXTYQEKUMZLRNC-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