General Information of the Compound
| Compound ID |
CP0446285
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| Compound Name |
2-[1-butyl-3-[[4-[(2-methylquinolin-4-yl)methoxy]phenyl]sulfonylamino]azetidin-3-yl]-N-hydroxyacetamide
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| Structure |
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| Formula |
C26H32N4O5S
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| Molecular Weight |
512.632
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| Canonical SMILES |
CCCCN1CC(CC(=O)NO)(C1)NS(=O)(=O)c1ccc(OCc2cc(C)nc3ccccc23)cc1
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| InChI |
InChI=1S/C26H32N4O5S/c1-3-4-13-30-17-26(18-30,15-25(31)28-32)29-36(33,34)22-11-9-21(10-12-22)35-16-20-14-19(2)27-24-8-6-5-7-23(20)24/h5-12,14,29,32H,3-4,13,15-18H2,1-2H3,(H,28,31)
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| InChIKey |
SFXKMKOJTQHRSJ-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