General Information of the Compound
| Compound ID |
CP0468912
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| Compound Name |
N-(2,5-dichlorophenyl)-2-methyl-5-oxo-4-(1,3-thiazol-2-yl)-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide
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| Structure |
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| Formula |
C20H17Cl2N3O2S
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| Molecular Weight |
434.348
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| Canonical SMILES |
CC1=C(C(c2nccs2)C2=C(CCCC2=O)N1)C(=O)Nc1cc(Cl)ccc1Cl
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| InChI |
InChI=1S/C20H17Cl2N3O2S/c1-10-16(19(27)25-14-9-11(21)5-6-12(14)22)18(20-23-7-8-28-20)17-13(24-10)3-2-4-15(17)26/h5-9,18,24H,2-4H2,1H3,(H,25,27)
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| InChIKey |
AYFSVKCQXIPNBT-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