General Information of the Compound
| Compound ID |
CP0377928
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| Compound Name |
4-(6-Chloro-pyridazin-3-yl)-piperazine-1-carboxylic acid (4-isopropyl-phenyl)-amide
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| Structure |
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| Formula |
C18H22ClN5O
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| Molecular Weight |
359.861
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| Canonical SMILES |
CC(C)c1ccc(NC(=O)N2CCN(CC2)c2ccc(Cl)nn2)cc1
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| InChI |
InChI=1S/C18H22ClN5O/c1-13(2)14-3-5-15(6-4-14)20-18(25)24-11-9-23(10-12-24)17-8-7-16(19)21-22-17/h3-8,13H,9-12H2,1-2H3,(H,20,25)
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| InChIKey |
XSKDODVTPLNVBZ-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