General Information of the Compound
| Compound ID |
CP0485552
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| Compound Name |
2-(2-(6-oxo-3-(piperazin-1-yl)pyridazin-1(6H)-yl)ethoxy)benzonitrile
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| Structure |
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| Formula |
C17H19N5O2
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| Molecular Weight |
325.372
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| Canonical SMILES |
O=c1ccc(nn1CCOc1ccccc1C#N)N1CCNCC1
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| InChI |
InChI=1S/C17H19N5O2/c18-13-14-3-1-2-4-15(14)24-12-11-22-17(23)6-5-16(20-22)21-9-7-19-8-10-21/h1-6,19H,7-12H2
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| InChIKey |
PNVKQSQDSCLVFZ-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