General Information of the Compound
| Compound ID |
CP0317166
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| Compound Name |
2-fluoro-5-(4-morpholin-4-yl-7H-pyrrolo[2,3-d]pyrimidin-5-yl)benzonitrile
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| Structure |
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| Formula |
C17H14FN5O
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| Molecular Weight |
323.331
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| Canonical SMILES |
Fc1ccc(cc1C#N)-c1c[nH]c2ncnc(N3CCOCC3)c12
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| InChI |
InChI=1S/C17H14FN5O/c18-14-2-1-11(7-12(14)8-19)13-9-20-16-15(13)17(22-10-21-16)23-3-5-24-6-4-23/h1-2,7,9-10H,3-6H2,(H,20,21,22)
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| InChIKey |
NCPFGJIHYSOYQU-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