General Information of the Compound
| Compound ID |
CP0535220
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| Compound Name |
1-(4-methoxy-2-methylphenyl)-N,N-bis(2-methoxyethyl)-3,6-dimethyl-1H-pyrazolo[3,4-d]pyrimidin-4-amine
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| Structure |
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| Formula |
C21H29N5O3
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| Molecular Weight |
399.495
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| Canonical SMILES |
COCCN(CCOC)c1nc(C)nc2n(nc(C)c12)-c1ccc(OC)cc1C
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| InChI |
InChI=1S/C21H29N5O3/c1-14-13-17(29-6)7-8-18(14)26-21-19(15(2)24-26)20(22-16(3)23-21)25(9-11-27-4)10-12-28-5/h7-8,13H,9-12H2,1-6H3
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| InChIKey |
BFQDIJBCDAWTPG-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