General Information of the Compound
| Compound ID |
CP0966350
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| Compound Name |
(S)-N-(1-(3-chloro-4-methylphenyl)ethyl)-2-(3-oxo-[1,2,4]triazolo[4,3-a]pyrimidin-2(3H)-yl)acetamide
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| Structure |
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| Formula |
C16H16ClN5O2
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| Molecular Weight |
345.79
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| Canonical SMILES |
Cc1ccc([C@H](C)NC(=O)Cn2nc3ncccn3c2=O)cc1Cl
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| InChI |
InChI=1S/C16H16ClN5O2/c1-10-4-5-12(8-13(10)17)11(2)19-14(23)9-22-16(24)21-7-3-6-18-15(21)20-22/h3-8,11H,9H2,1-2H3,(H,19,23)/t11-/m0/s1
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| InChIKey |
LXLYKVPVSCITMT-NSHDSACASA-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