General Information of the Compound
| Compound ID |
CP0439544
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| Compound Name |
7-Chloro-4-(2-morpholin-3-yl-ethoxy)-2-oxo-3-(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 |
C27H28ClN5O4S
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| Molecular Weight |
554.072
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| Canonical SMILES |
Cc1cc(cc(C)c1C)-c1c(OCCC2COCCN2)c2cc(C(=O)Nc3cnsn3)c(Cl)cc2[nH]c1=O
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| InChI |
InChI=1S/C27H28ClN5O4S/c1-14-8-17(9-15(2)16(14)3)24-25(37-6-4-18-13-36-7-5-29-18)20-10-19(21(28)11-22(20)31-27(24)35)26(34)32-23-12-30-38-33-23/h8-12,18,29H,4-7,13H2,1-3H3,(H,31,35)(H,32,33,34)
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| InChIKey |
XPTSNEGNQIBUPL-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