General Information of the Compound
| Compound ID |
CP0412567
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| Compound Name |
[1-(6-methoxypyridin-3-yl)sulfonylazetidin-3-yl]-(4-pyridin-4-ylpiperazin-1-yl)methanone
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| Structure |
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| Formula |
C19H23N5O4S
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| Molecular Weight |
417.491
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| Canonical SMILES |
COc1ccc(cn1)S(=O)(=O)N1CC(C1)C(=O)N1CCN(CC1)c1ccncc1
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| InChI |
InChI=1S/C19H23N5O4S/c1-28-18-3-2-17(12-21-18)29(26,27)24-13-15(14-24)19(25)23-10-8-22(9-11-23)16-4-6-20-7-5-16/h2-7,12,15H,8-11,13-14H2,1H3
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| InChIKey |
VSEOKBOURBSSBQ-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