General Information of the Compound
| Compound ID |
CP0132438
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| Compound Name |
1,3,5-trimethyl-6-[(E)-2-(4-methylsulfonylphenyl)ethenyl]pyrrolo[3,2-d]pyrimidine-2,4-dione
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| Structure |
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| Formula |
C18H19N3O4S
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| Molecular Weight |
373.434
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| Canonical SMILES |
Cn1c(\C=C\c2ccc(cc2)S(C)(=O)=O)cc2n(C)c(=O)n(C)c(=O)c12
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| InChI |
InChI=1S/C18H19N3O4S/c1-19-13(8-5-12-6-9-14(10-7-12)26(4,24)25)11-15-16(19)17(22)21(3)18(23)20(15)2/h5-11H,1-4H3/b8-5+
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| InChIKey |
FBFCHNFLBFCNFK-VMPITWQZSA-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