General Information of the Compound
| Compound ID |
CP0914633
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| Compound Name |
(S)-N-(1-(4-chloro-3-methylphenyl)ethyl)-2-(3-oxo-[1,2,4]triazolo[4,3-b]pyridazin-2(3H)-yl)acetamide
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| Formula |
C16H16ClN5O2
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| Molecular Weight |
345.79
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| Canonical SMILES |
Cc1cc([C@H](C)NC(=O)Cn2nc3cccnn3c2=O)ccc1Cl
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| InChI |
InChI=1S/C16H16ClN5O2/c1-10-8-12(5-6-13(10)17)11(2)19-15(23)9-21-16(24)22-14(20-21)4-3-7-18-22/h3-8,11H,9H2,1-2H3,(H,19,23)/t11-/m0/s1
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| InChIKey |
CBSRCOWJIKIQHY-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