General Information of the Compound
| Compound ID |
CP0439854
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| Compound Name |
5-[2-[[1-(benzenesulfonyl)-3,4-dihydro-2H-quinolin-7-yl]oxy]-6-chloropyridin-4-yl]-3-cyclopropyl-1,2,4-oxadiazole
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| Structure |
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| Formula |
C25H21ClN4O4S
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| Molecular Weight |
508.987
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| Canonical SMILES |
Clc1cc(cc(Oc2ccc3CCCN(c3c2)S(=O)(=O)c2ccccc2)n1)-c1nc(no1)C1CC1
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| InChI |
InChI=1S/C25H21ClN4O4S/c26-22-13-18(25-28-24(29-34-25)17-8-9-17)14-23(27-22)33-19-11-10-16-5-4-12-30(21(16)15-19)35(31,32)20-6-2-1-3-7-20/h1-3,6-7,10-11,13-15,17H,4-5,8-9,12H2
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| InChIKey |
MYJWWGDMJLCLGI-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