General Information of the Compound
| Compound ID |
CP0439008
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| Compound Name |
4-(6-Chloro-4-methyl-pyridazin-3-yl)-piperazine-1-carboxylic acid (6-fluoro-benzothiazol-2-yl)-amide
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| Structure |
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| Formula |
C17H16ClFN6OS
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| Molecular Weight |
406.874
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| Canonical SMILES |
Cc1cc(Cl)nnc1N1CCN(CC1)C(=O)Nc1nc2ccc(F)cc2s1
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| InChI |
InChI=1S/C17H16ClFN6OS/c1-10-8-14(18)22-23-15(10)24-4-6-25(7-5-24)17(26)21-16-20-12-3-2-11(19)9-13(12)27-16/h2-3,8-9H,4-7H2,1H3,(H,20,21,26)
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| InChIKey |
NVGYMPKAWRBFSM-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