General Information of the Compound
| Compound ID |
CP0441968
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| Compound Name |
7-[2-(4-Benzyloxy-phenyl)-ethyl]-2-furan-2-yl-7H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidin-5-ylamine
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| Structure |
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| Formula |
C25H21N7O2
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| Molecular Weight |
451.49
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| Canonical SMILES |
Nc1nc2n(CCc3ccc(OCc4ccccc4)cc3)ncc2c2nc(nn12)-c1ccco1
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| InChI |
InChI=1S/C25H21N7O2/c26-25-29-23-20(24-28-22(30-32(24)25)21-7-4-14-33-21)15-27-31(23)13-12-17-8-10-19(11-9-17)34-16-18-5-2-1-3-6-18/h1-11,14-15H,12-13,16H2,(H2,26,29)
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| InChIKey |
WUDQVVRYXALCCP-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