General Information of the Compound
| Compound ID |
CP0430520
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| Compound Name |
1-[5-amino-2-(3-methylphenyl)triazol-4-yl]-3-phenylpropan-1-one
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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 |
Cc1cccc(c1)-n1nc(N)c(n1)C(=O)CCc1ccccc1
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| InChI |
InChI=1S/C18H18N4O/c1-13-6-5-9-15(12-13)22-20-17(18(19)21-22)16(23)11-10-14-7-3-2-4-8-14/h2-9,12H,10-11H2,1H3,(H2,19,21)
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| InChIKey |
JIUYMBQNHGNLRZ-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