General Information of the Compound
| Compound ID |
CP0573587
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| Compound Name |
3-(1-propoxyisoquinolin-3-yl)-1,4-dihydro-1,2,4-triazol-5-one
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| Structure |
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| Formula |
C14H14N4O2
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| Molecular Weight |
270.292
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| Canonical SMILES |
CCCOc1nc(cc2ccccc12)-c1n[nH]c(=O)[nH]1
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| InChI |
InChI=1S/C14H14N4O2/c1-2-7-20-13-10-6-4-3-5-9(10)8-11(15-13)12-16-14(19)18-17-12/h3-6,8H,2,7H2,1H3,(H2,16,17,18,19)
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| InChIKey |
BZETZTSTJHDEFY-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