General Information of the Compound
| Compound ID |
CP0134580
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| Compound Name |
3-fluoro-4-[(5R)-6,7,8,9-tetrahydro-5H-imidazo[1,5-a]azepin-5-yl]benzonitrile
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| Structure |
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| Formula |
C15H14FN3
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| Molecular Weight |
255.296
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| Canonical SMILES |
Fc1cc(ccc1[C@H]1CCCCc2cncn12)C#N
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| InChI |
InChI=1S/C15H14FN3/c16-14-7-11(8-17)5-6-13(14)15-4-2-1-3-12-9-18-10-19(12)15/h5-7,9-10,15H,1-4H2/t15-/m1/s1
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| InChIKey |
QIVWARVJVDCWCQ-OAHLLOKOSA-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