General Information of the Compound
| Compound ID |
CP0421045
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| Compound Name |
2-[2-chloro-6-[[1-(4-chlorophenyl)sulfonyl-6-fluoro-3,4-dihydro-2H-quinolin-7-yl]oxy]pyridin-4-yl]-5-cyclopropyl-1,3,4-oxadiazole
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| Structure |
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| Formula |
C25H19Cl2FN4O4S
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| Molecular Weight |
561.422
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| Canonical SMILES |
Fc1cc2CCCN(c2cc1Oc1cc(cc(Cl)n1)-c1nnc(o1)C1CC1)S(=O)(=O)c1ccc(Cl)cc1
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| InChI |
InChI=1S/C25H19Cl2FN4O4S/c26-17-5-7-18(8-6-17)37(33,34)32-9-1-2-15-10-19(28)21(13-20(15)32)35-23-12-16(11-22(27)29-23)25-31-30-24(36-25)14-3-4-14/h5-8,10-14H,1-4,9H2
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| InChIKey |
KYNTURSDLYTYDH-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