General Information of the Compound
| Compound ID |
CP0487936
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| Compound Name |
6-(5-hydroxypentyl)-3-methyl-1-(2-methylpropyl)-7-(naphthalen-1-ylmethyl)pteridine-2,4-dione
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| Structure |
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| Formula |
C27H32N4O3
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| Molecular Weight |
460.578
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| Canonical SMILES |
CC(C)Cn1c2nc(Cc3cccc4ccccc34)c(CCCCCO)nc2c(=O)n(C)c1=O
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| InChI |
InChI=1S/C27H32N4O3/c1-18(2)17-31-25-24(26(33)30(3)27(31)34)28-22(14-5-4-8-15-32)23(29-25)16-20-12-9-11-19-10-6-7-13-21(19)20/h6-7,9-13,18,32H,4-5,8,14-17H2,1-3H3
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| InChIKey |
GFGFMMBIXWNOIE-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