General Information of the Compound
| Compound ID |
CP0473887
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| Compound Name |
N-[1-(4-methoxy-2-methylphenyl)-3,6-dimethylpyrazolo[3,4-d]pyrimidin-4-yl]-5-(propylaminomethyl)-1,3,4-oxadiazol-2-amine
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| Structure |
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| Formula |
C21H26N8O2
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| Molecular Weight |
422.493
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| Canonical SMILES |
CCCNCc1nnc(Nc2nc(C)nc3n(nc(C)c23)-c2ccc(OC)cc2C)o1
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| InChI |
InChI=1S/C21H26N8O2/c1-6-9-22-11-17-26-27-21(31-17)25-19-18-13(3)28-29(20(18)24-14(4)23-19)16-8-7-15(30-5)10-12(16)2/h7-8,10,22H,6,9,11H2,1-5H3,(H,23,24,25,27)
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| InChIKey |
RDQVUXUNGQMXTP-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