General Information of the Compound
| Compound ID |
CP0403266
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| Compound Name |
4-[2-(1-Aza-bicyclo[2.2.2]oct-2-yl)-ethoxy]-7-chloro-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 |
C30H32ClN5O3S
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| Molecular Weight |
578.138
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| Canonical SMILES |
Cc1cc(cc(C)c1C)-c1c(OCCC2CC3CCN2CC3)c2cc(C(=O)Nc3cnsn3)c(Cl)cc2[nH]c1=O
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| InChI |
InChI=1S/C30H32ClN5O3S/c1-16-10-20(11-17(2)18(16)3)27-28(39-9-6-21-12-19-4-7-36(21)8-5-19)23-13-22(24(31)14-25(23)33-30(27)38)29(37)34-26-15-32-40-35-26/h10-11,13-15,19,21H,4-9,12H2,1-3H3,(H,33,38)(H,34,35,37)
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| InChIKey |
ICAVEIBLQFGHKG-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