General Information of the Compound
| Compound ID |
CP0526258
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| Compound Name |
(4-aminophenyl)-[1-(4-propan-2-ylphenyl)triazol-4-yl]methanone
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| Structure |
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| Formula |
C18H18N4O
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| Molecular Weight |
306.369
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| Canonical SMILES |
CC(C)c1ccc(cc1)-n1cc(nn1)C(=O)c1ccc(N)cc1
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| InChI |
InChI=1S/C18H18N4O/c1-12(2)13-5-9-16(10-6-13)22-11-17(20-21-22)18(23)14-3-7-15(19)8-4-14/h3-12H,19H2,1-2H3
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| InChIKey |
IYRHRESLLJGACT-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