General Information of the Compound
| Compound ID |
CP0461200
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| Compound Name |
2-[2-chloro-6-[[1-(4-chlorophenyl)sulfonyl-3,4-dihydro-2H-quinolin-7-yl]oxy]pyridin-4-yl]-4-cyclopropyl-1,3-thiazole
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| Structure |
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| Formula |
C26H21Cl2N3O3S2
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| Molecular Weight |
558.512
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| Canonical SMILES |
Clc1ccc(cc1)S(=O)(=O)N1CCCc2ccc(Oc3cc(cc(Cl)n3)-c3nc(cs3)C3CC3)cc12
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| InChI |
InChI=1S/C26H21Cl2N3O3S2/c27-19-6-9-21(10-7-19)36(32,33)31-11-1-2-17-5-8-20(14-23(17)31)34-25-13-18(12-24(28)30-25)26-29-22(15-35-26)16-3-4-16/h5-10,12-16H,1-4,11H2
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| InChIKey |
UMQNYTUNLBJMQR-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