General Information of the Compound
| Compound ID |
CP0412565
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| Compound Name |
[1-(5-chloropyridin-2-yl)sulfonylazetidin-3-yl]-(4-pyridin-4-ylpiperazin-1-yl)methanone
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| Structure |
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| Formula |
C18H20ClN5O3S
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| Molecular Weight |
421.91
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| Canonical SMILES |
Clc1ccc(nc1)S(=O)(=O)N1CC(C1)C(=O)N1CCN(CC1)c1ccncc1
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| InChI |
InChI=1S/C18H20ClN5O3S/c19-15-1-2-17(21-11-15)28(26,27)24-12-14(13-24)18(25)23-9-7-22(8-10-23)16-3-5-20-6-4-16/h1-6,11,14H,7-10,12-13H2
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| InChIKey |
SFXJJBKOXLHYOV-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