General Information of the Compound
| Compound ID |
CP0408923
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| Compound Name |
1-[5-amino-2-(2-chlorophenyl)triazol-4-yl]-3-phenylpropan-1-one
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| Structure |
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| Formula |
C17H15ClN4O
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| Molecular Weight |
326.787
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| Canonical SMILES |
Nc1nn(nc1C(=O)CCc1ccccc1)-c1ccccc1Cl
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| InChI |
InChI=1S/C17H15ClN4O/c18-13-8-4-5-9-14(13)22-20-16(17(19)21-22)15(23)11-10-12-6-2-1-3-7-12/h1-9H,10-11H2,(H2,19,21)
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| InChIKey |
RAOSKGHUIWNDSG-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