General Information of the Compound
| Compound ID |
CP0397964
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| Compound Name |
N,N-bis(2-methoxyethyl)-5-methyl-3-(2-methylsulfonyl-4-propan-2-ylphenyl)triazolo[4,5-d]pyrimidin-7-amine
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| Structure |
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| Formula |
C21H30N6O4S
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| Molecular Weight |
462.576
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| Canonical SMILES |
COCCN(CCOC)c1nc(C)nc2n(nnc12)-c1ccc(cc1S(C)(=O)=O)C(C)C
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| InChI |
InChI=1S/C21H30N6O4S/c1-14(2)16-7-8-17(18(13-16)32(6,28)29)27-21-19(24-25-27)20(22-15(3)23-21)26(9-11-30-4)10-12-31-5/h7-8,13-14H,9-12H2,1-6H3
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| InChIKey |
GZFHNUYGWOIQAQ-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