General Information of the Compound
| Compound ID |
CP0903303
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| Compound Name |
(S)-N-(1-(4-chlorophenyl)ethyl)-2-(3-oxo-[1,2,4]triazolo[4,3-b]pyridazin-2(3H)-yl)acetamide
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| Formula |
C15H14ClN5O2
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| Molecular Weight |
331.763
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| Canonical SMILES |
C[C@H](NC(=O)Cn1nc2cccnn2c1=O)c1ccc(Cl)cc1
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| InChI |
InChI=1S/C15H14ClN5O2/c1-10(11-4-6-12(16)7-5-11)18-14(22)9-20-15(23)21-13(19-20)3-2-8-17-21/h2-8,10H,9H2,1H3,(H,18,22)/t10-/m0/s1
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| InChIKey |
BCUIEJLBBIIJID-JTQLQIEISA-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