General Information of the Compound
| Compound ID |
CP0059605
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| Compound Name |
N-[2-(4-ethylphenyl)benzotriazol-5-yl]propanamide
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| Structure |
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| Formula |
C17H18N4O
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| Molecular Weight |
294.358
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| Canonical SMILES |
CCC(=O)Nc1ccc2nn(nc2c1)-c1ccc(CC)cc1
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| InChI |
InChI=1S/C17H18N4O/c1-3-12-5-8-14(9-6-12)21-19-15-10-7-13(11-16(15)20-21)18-17(22)4-2/h5-11H,3-4H2,1-2H3,(H,18,22)
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| InChIKey |
XZHWCIAHPTUIPY-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