General Information of the Compound
| Compound ID |
CP0577553
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| Compound Name |
2-amino-4-(5-methylfuran-2-yl)-8-(4-phenylbutyl)pteridin-7-one
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| Structure |
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| Formula |
C21H21N5O2
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| Molecular Weight |
375.432
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| Canonical SMILES |
Cc1ccc(o1)-c1nc(N)nc2n(CCCCc3ccccc3)c(=O)cnc12
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| InChI |
InChI=1S/C21H21N5O2/c1-14-10-11-16(28-14)18-19-20(25-21(22)24-18)26(17(27)13-23-19)12-6-5-9-15-7-3-2-4-8-15/h2-4,7-8,10-11,13H,5-6,9,12H2,1H3,(H2,22,24,25)
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| InChIKey |
MIBKLSWBYDFURE-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