General Information of the Compound
| Compound ID |
CP0497061
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| Compound Name |
7-Chloro-2-oxo-4-[2-(4-oxo-azetidin-2-yl)-ethoxy]-3-((S)-3,4,5-trimethyl-phenyl)-1,2-dihydro-quinoline-6-carboxylic acid [1,2,5]thiadiazol-3-ylamide
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| Structure |
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| Formula |
C26H24ClN5O4S
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| Molecular Weight |
538.029
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| Canonical SMILES |
Cc1cc(cc(C)c1C)-c1c(OCC[C@H]2CC(=O)N2)c2cc(C(=O)Nc3cnsn3)c(Cl)cc2[nH]c1=O
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| InChI |
InChI=1S/C26H24ClN5O4S/c1-12-6-15(7-13(2)14(12)3)23-24(36-5-4-16-8-22(33)29-16)18-9-17(19(27)10-20(18)30-26(23)35)25(34)31-21-11-28-37-32-21/h6-7,9-11,16H,4-5,8H2,1-3H3,(H,29,33)(H,30,35)(H,31,32,34)/t16-/m0/s1
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| InChIKey |
FJWHUGCBAPHOSB-INIZCTEOSA-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