General Information of the Compound
| Compound ID |
CP0571598
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| Compound Name |
2-amino-4-(3-fluorophenyl)-7H-pyrrolo[2,3-d]pyrimidine-5-carbonitrile
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| Structure |
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| Formula |
C13H8FN5
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| Molecular Weight |
253.24
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| Canonical SMILES |
Nc1nc(-c2cccc(F)c2)c2c(c[nH]c2n1)C#N
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| InChI |
InChI=1S/C13H8FN5/c14-9-3-1-2-7(4-9)11-10-8(5-15)6-17-12(10)19-13(16)18-11/h1-4,6H,(H3,16,17,18,19)
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| InChIKey |
OWBRYIBDGOHENC-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