General Information of the Compound
| Compound ID |
CP0011780
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| Compound Name |
3-benzyl-6-[2-(4-chlorophenyl)-2-keto-ethyl]triazolo[4,5-d]pyrimidin-7-one
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| Structure |
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| Formula |
C19H14ClN5O2
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| Molecular Weight |
379.807
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| Canonical SMILES |
Clc1ccc(cc1)C(=O)Cn1cnc2n(Cc3ccccc3)nnc2c1=O
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| InChI |
InChI=1S/C19H14ClN5O2/c20-15-8-6-14(7-9-15)16(26)11-24-12-21-18-17(19(24)27)22-23-25(18)10-13-4-2-1-3-5-13/h1-9,12H,10-11H2
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| InChIKey |
ZUAMMHYNGMEMGE-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