General Information of the Compound
| Compound ID |
CP0479710
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| Compound Name |
8-cyclopentyl-1-propyl-2-[3-(trifluoromethyl)anilino]-7H-purin-6-one
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| Structure |
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| Formula |
C20H22F3N5O
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| Molecular Weight |
405.424
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| Canonical SMILES |
CCCn1c(Nc2cccc(c2)C(F)(F)F)nc2nc([nH]c2c1=O)C1CCCC1
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| InChI |
InChI=1S/C20H22F3N5O/c1-2-10-28-18(29)15-17(26-16(25-15)12-6-3-4-7-12)27-19(28)24-14-9-5-8-13(11-14)20(21,22)23/h5,8-9,11-12H,2-4,6-7,10H2,1H3,(H,24,27)(H,25,26)
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| InChIKey |
VSYYYHKLAUXMCY-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