General Information of the Compound
| Compound ID |
CP0464736
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| Compound Name |
3-(2,4-dichlorophenyl)-N-ethyl-N-hexyl-2,5-dimethylpyrazolo[4,3-d]pyrimidin-7-amine
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| Structure |
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| Formula |
C21H27Cl2N5
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| Molecular Weight |
420.388
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| Canonical SMILES |
CCCCCCN(CC)c1nc(C)nc2c(-c3ccc(Cl)cc3Cl)n(C)nc12
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| InChI |
InChI=1S/C21H27Cl2N5/c1-5-7-8-9-12-28(6-2)21-19-18(24-14(3)25-21)20(27(4)26-19)16-11-10-15(22)13-17(16)23/h10-11,13H,5-9,12H2,1-4H3
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| InChIKey |
CLXOEIKOGMILQO-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