General Information of the Compound
| Compound ID |
CP0442037
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| Compound Name |
(2-aminophenyl)-[1-(3-tert-butylphenyl)triazol-4-yl]methanone
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| Structure |
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| Formula |
C19H20N4O
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| Molecular Weight |
320.396
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| Canonical SMILES |
CC(C)(C)c1cccc(c1)-n1cc(nn1)C(=O)c1ccccc1N
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| InChI |
InChI=1S/C19H20N4O/c1-19(2,3)13-7-6-8-14(11-13)23-12-17(21-22-23)18(24)15-9-4-5-10-16(15)20/h4-12H,20H2,1-3H3
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| InChIKey |
CIAMCSCXLHGTAG-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