General Information of the Compound
| Compound ID |
CP0128742
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| Compound Name |
6-butyl-7-(4-fluoro-2-methylphenyl)-4-methylpurino[7,8-a]imidazole-1,3-dione
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| Structure |
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| Formula |
C19H20FN5O2
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| Molecular Weight |
369.4
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| Canonical SMILES |
CCCCn1c(cn2c1nc1n(C)c(=O)[nH]c(=O)c21)-c1ccc(F)cc1C
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| InChI |
InChI=1S/C19H20FN5O2/c1-4-5-8-24-14(13-7-6-12(20)9-11(13)2)10-25-15-16(21-18(24)25)23(3)19(27)22-17(15)26/h6-7,9-10H,4-5,8H2,1-3H3,(H,22,26,27)
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| InChIKey |
ILWOIMOKLTUADE-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
Protein ID: PT01028, Ephrin type-B receptor 4