General Information of the Compound
| Compound ID |
CP0374181
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| Compound Name |
7-(3-(4-(allyloxy)phenyl)propyl)-2-(furan-2-yl)-7H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidin-5-amine
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| Structure |
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| Formula |
C22H21N7O2
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| Molecular Weight |
415.457
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| Canonical SMILES |
Nc1nc2n(CCCc3ccc(OCC=C)cc3)ncc2c2nc(nn12)-c1ccco1
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| InChI |
InChI=1S/C22H21N7O2/c1-2-12-30-16-9-7-15(8-10-16)5-3-11-28-20-17(14-24-28)21-25-19(18-6-4-13-31-18)27-29(21)22(23)26-20/h2,4,6-10,13-14H,1,3,5,11-12H2,(H2,23,26)
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| InChIKey |
PJSPZEHCESJWMH-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