General Information of the Compound
| Compound ID |
CP0536671
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| Compound Name |
5,7-dimethyl-2-[4-(pyridine-3-carbonyl)piperazin-1-yl]quinoline-3-carbonitrile
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| Structure |
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| Formula |
C22H21N5O
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| Molecular Weight |
371.444
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| Canonical SMILES |
Cc1cc(C)c2cc(C#N)c(nc2c1)N1CCN(CC1)C(=O)c1cccnc1
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| InChI |
InChI=1S/C22H21N5O/c1-15-10-16(2)19-12-18(13-23)21(25-20(19)11-15)26-6-8-27(9-7-26)22(28)17-4-3-5-24-14-17/h3-5,10-12,14H,6-9H2,1-2H3
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| InChIKey |
GEFLKWYWRUMWNJ-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