General Information of the Compound
| Compound ID |
CP0487271
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| Compound Name |
4-[(4-fluorophenyl)methyl]-7H-pyrrolo[2,3-d]pyrimidine
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| Structure |
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| Formula |
C13H10FN3
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| Molecular Weight |
227.242
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| Canonical SMILES |
Fc1ccc(Cc2ncnc3[nH]ccc23)cc1
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| InChI |
InChI=1S/C13H10FN3/c14-10-3-1-9(2-4-10)7-12-11-5-6-15-13(11)17-8-16-12/h1-6,8H,7H2,(H,15,16,17)
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| InChIKey |
ZRBMKGYTXXLUTJ-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