General Information of the Compound
| Compound ID |
CP0497397
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| Compound Name |
4-(6-Phenyl-pyridazin-3-yl)-piperazine-1-carboxylic acid (6-fluoro-benzothiazol-2-yl)-amide
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| Structure |
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| Formula |
C22H19FN6OS
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| Molecular Weight |
434.5
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| Canonical SMILES |
Fc1ccc2nc(NC(=O)N3CCN(CC3)c3ccc(nn3)-c3ccccc3)sc2c1
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| InChI |
InChI=1S/C22H19FN6OS/c23-16-6-7-18-19(14-16)31-21(24-18)25-22(30)29-12-10-28(11-13-29)20-9-8-17(26-27-20)15-4-2-1-3-5-15/h1-9,14H,10-13H2,(H,24,25,30)
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| InChIKey |
YEWPTPWIJDMARC-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