General Information of the Compound
| Compound ID |
CP0535390
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| Compound Name |
cyclopropyl-[4-(5-methyl-1-pyridin-3-yltriazol-4-yl)phenyl]methanone
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| Structure |
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| Formula |
C18H16N4O
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| Molecular Weight |
304.353
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| Canonical SMILES |
Cc1c(nnn1-c1cccnc1)-c1ccc(cc1)C(=O)C1CC1
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| InChI |
InChI=1S/C18H16N4O/c1-12-17(20-21-22(12)16-3-2-10-19-11-16)13-4-6-14(7-5-13)18(23)15-8-9-15/h2-7,10-11,15H,8-9H2,1H3
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| InChIKey |
RYARMSANLFBQQB-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