General Information of the Compound
| Compound ID |
CP0564789
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| Compound Name |
1-(6-chloroimidazo[1,2-b]pyridazin-3-yl)sulfonyl-4-phenylpiperidine-4-carbonitrile
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| Structure |
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| Formula |
C18H16ClN5O2S
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| Molecular Weight |
401.879
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| Canonical SMILES |
Clc1ccc2ncc(n2n1)S(=O)(=O)N1CCC(CC1)(C#N)c1ccccc1
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| InChI |
InChI=1S/C18H16ClN5O2S/c19-15-6-7-16-21-12-17(24(16)22-15)27(25,26)23-10-8-18(13-20,9-11-23)14-4-2-1-3-5-14/h1-7,12H,8-11H2
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| InChIKey |
VIPQHIZOOZENKL-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