General Information of the Compound
| Compound ID |
CP0429544
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| Compound Name |
2,4-dimethyl-1,3-dioxo-N-[4-(1,3-thiazol-2-yl)phenyl]-7,8-dihydro-6H-purino[7,8-a]pyrrole-8-carboxamide
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| Structure |
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| Formula |
C20H18N6O3S
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| Molecular Weight |
422.47
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| Canonical SMILES |
Cn1c2nc3CCC(C(=O)Nc4ccc(cc4)-c4nccs4)n3c2c(=O)n(C)c1=O
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| InChI |
InChI=1S/C20H18N6O3S/c1-24-16-15(19(28)25(2)20(24)29)26-13(7-8-14(26)23-16)17(27)22-12-5-3-11(4-6-12)18-21-9-10-30-18/h3-6,9-10,13H,7-8H2,1-2H3,(H,22,27)
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| InChIKey |
RUOXGKMKUPIYHN-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