General Information of the Compound
| Compound ID |
CP0088592
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| Compound Name |
8-(4-(hydroxymethyl)phenyl)-5-methyl-[1,2,4]triazolo[4,3-a]quinolin-1(2H)-one
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| Structure |
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| Formula |
C18H15N3O2
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| Molecular Weight |
305.337
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| Canonical SMILES |
Cc1cc2n[nH]c(=O)n2c2cc(ccc12)-c1ccc(CO)cc1
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| InChI |
InChI=1S/C18H15N3O2/c1-11-8-17-19-20-18(23)21(17)16-9-14(6-7-15(11)16)13-4-2-12(10-22)3-5-13/h2-9,22H,10H2,1H3,(H,20,23)
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| InChIKey |
UFXPFOWBHCRZEX-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