General Information of the Compound
| Compound ID |
CP0509637
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| Compound Name |
7-Chloro-4-(2-oxetan-2-yl-ethoxy)-2-oxo-3-((R)-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 |
C26H25ClN4O4S
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| Molecular Weight |
525.03
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| Canonical SMILES |
Cc1cc(cc(C)c1C)-c1c(OCC[C@H]2CCO2)c2cc(C(=O)Nc3cnsn3)c(Cl)cc2[nH]c1=O
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| InChI |
InChI=1S/C26H25ClN4O4S/c1-13-8-16(9-14(2)15(13)3)23-24(35-7-5-17-4-6-34-17)19-10-18(20(27)11-21(19)29-26(23)33)25(32)30-22-12-28-36-31-22/h8-12,17H,4-7H2,1-3H3,(H,29,33)(H,30,31,32)/t17-/m1/s1
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| InChIKey |
VVFSALIHFWRQNS-QGZVFWFLSA-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