General Information of the Compound
| Compound ID |
CP0410095
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| Compound Name |
(E)-7-(3-(4-(cinnamyloxy)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 |
C27H23N7O2
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| Molecular Weight |
477.528
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| Canonical SMILES |
Nc1nc2n(CCCc3ccc(O\C=C\c4ccccc4)cc3)ncc2c2nc(nn12)-c1ccco1
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| InChI |
InChI=1S/C27H23N7O2/c28-27-31-25-22(26-30-24(32-34(26)27)23-9-5-16-36-23)18-29-33(25)15-4-8-20-10-12-21(13-11-20)35-17-14-19-6-2-1-3-7-19/h1-3,5-7,9-14,16-18H,4,8,15H2,(H2,28,31)/b17-14+
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| InChIKey |
KUNVXAIURIOCAY-SAPNQHFASA-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