General Information of the Compound
| Compound ID |
CP0495168
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| Compound Name |
8-cyclopentyl-2-(3-fluoroanilino)-1-propyl-7H-purin-6-one
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| Structure |
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| Formula |
C19H22FN5O
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| Molecular Weight |
355.417
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| Canonical SMILES |
CCCn1c(Nc2cccc(F)c2)nc2nc([nH]c2c1=O)C1CCCC1
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| InChI |
InChI=1S/C19H22FN5O/c1-2-10-25-18(26)15-17(23-16(22-15)12-6-3-4-7-12)24-19(25)21-14-9-5-8-13(20)11-14/h5,8-9,11-12H,2-4,6-7,10H2,1H3,(H,21,24)(H,22,23)
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| InChIKey |
DZFKYXYHPJNBLK-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