General Information of the Compound
| Compound ID |
CP0472116
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| Compound Name |
N-[5-[(3,5-dichlorophenyl)methyl]-1,3-thiazol-2-yl]-3-(2-hydroxyethoxy)-4-methoxybenzamide
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| Structure |
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| Formula |
C20H18Cl2N2O4S
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| Molecular Weight |
453.347
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| Canonical SMILES |
COc1ccc(cc1OCCO)C(=O)Nc1ncc(Cc2cc(Cl)cc(Cl)c2)s1
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| InChI |
InChI=1S/C20H18Cl2N2O4S/c1-27-17-3-2-13(9-18(17)28-5-4-25)19(26)24-20-23-11-16(29-20)8-12-6-14(21)10-15(22)7-12/h2-3,6-7,9-11,25H,4-5,8H2,1H3,(H,23,24,26)
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| InChIKey |
NGLFQHOZSPQMIO-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