General Information of the Compound
| Compound ID |
CP0387516
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| Compound Name |
7-[4-(1,3-dihydro-2-benzofuran-5-yloxy)piperidin-1-yl]-6-methyl-2H-[1,2,4]triazolo[4,3-a]pyrimidin-3-one
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| Structure |
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| Formula |
C19H21N5O3
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| Molecular Weight |
367.409
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| Canonical SMILES |
Cc1cn2c(n[nH]c2=O)nc1N1CCC(CC1)Oc1ccc2COCc2c1
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| InChI |
InChI=1S/C19H21N5O3/c1-12-9-24-18(21-22-19(24)25)20-17(12)23-6-4-15(5-7-23)27-16-3-2-13-10-26-11-14(13)8-16/h2-3,8-9,15H,4-7,10-11H2,1H3,(H,22,25)
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| InChIKey |
ZZGYJSJVNSAYGW-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