General Information of the Compound
| Compound ID |
CP0421052
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| Compound Name |
3-tert-butyl-5-[2-chloro-6-[[1-(4-chlorophenyl)sulfonyl-3,4-dihydro-2H-quinolin-7-yl]oxy]pyridin-4-yl]-1,2,4-oxadiazole
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| Structure |
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| Formula |
C26H24Cl2N4O4S
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| Molecular Weight |
559.475
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| Canonical SMILES |
CC(C)(C)c1noc(n1)-c1cc(Cl)nc(Oc2ccc3CCCN(c3c2)S(=O)(=O)c2ccc(Cl)cc2)c1
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| InChI |
InChI=1S/C26H24Cl2N4O4S/c1-26(2,3)25-30-24(36-31-25)17-13-22(28)29-23(14-17)35-19-9-6-16-5-4-12-32(21(16)15-19)37(33,34)20-10-7-18(27)8-11-20/h6-11,13-15H,4-5,12H2,1-3H3
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| InChIKey |
PHWVTRUGFJHBHQ-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