General Information of the Compound
| Compound ID |
CP0431060
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| Compound Name |
4-(6-Methoxy-pyridazin-3-yl)-piperazine-1-carboxylic acid (6-fluoro-benzothiazol-2-yl)-amide
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| Structure |
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| Formula |
C17H17FN6O2S
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| Molecular Weight |
388.428
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| Canonical SMILES |
COc1ccc(nn1)N1CCN(CC1)C(=O)Nc1nc2ccc(F)cc2s1
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| InChI |
InChI=1S/C17H17FN6O2S/c1-26-15-5-4-14(21-22-15)23-6-8-24(9-7-23)17(25)20-16-19-12-3-2-11(18)10-13(12)27-16/h2-5,10H,6-9H2,1H3,(H,19,20,25)
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| InChIKey |
DLLYTLZCTKDSBS-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