General Information of the Compound
| Compound ID |
CP0569317
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| Compound Name |
3-[4-(4-tert-butylphenyl)triazol-1-yl]propanoic acid
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| Formula |
C15H19N3O2
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| Molecular Weight |
273.336
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| Canonical SMILES |
CC(C)(C)c1ccc(cc1)-c1cn(CCC(O)=O)nn1
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| InChI |
InChI=1S/C15H19N3O2/c1-15(2,3)12-6-4-11(5-7-12)13-10-18(17-16-13)9-8-14(19)20/h4-7,10H,8-9H2,1-3H3,(H,19,20)
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| InChIKey |
IVWDHXFZSVWFRH-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