General Information of the Compound
| Compound ID |
CP0498801
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| Compound Name |
6-(3-hydroxypropylsulfanyl)-3-methyl-1-(2-methylpropyl)-7-(naphthalen-1-ylmethyl)pteridine-2,4-dione
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| Structure |
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| Formula |
C25H28N4O3S
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| Molecular Weight |
464.591
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| Canonical SMILES |
CC(C)Cn1c2nc(Cc3cccc4ccccc34)c(SCCCO)nc2c(=O)n(C)c1=O
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| InChI |
InChI=1S/C25H28N4O3S/c1-16(2)15-29-22-21(24(31)28(3)25(29)32)27-23(33-13-7-12-30)20(26-22)14-18-10-6-9-17-8-4-5-11-19(17)18/h4-6,8-11,16,30H,7,12-15H2,1-3H3
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| InChIKey |
WJTCZYVJLGIBOP-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