General Information of the Compound
| Compound ID |
CP0574681
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| Compound Name |
methyl 4-[4-[(5-methyl-1,3-thiazol-2-yl)amino]-4-oxobutoxy]benzoate
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| Structure |
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| Formula |
C16H18N2O4S
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| Molecular Weight |
334.397
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| Canonical SMILES |
COC(=O)c1ccc(OCCCC(=O)Nc2ncc(C)s2)cc1
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| InChI |
InChI=1S/C16H18N2O4S/c1-11-10-17-16(23-11)18-14(19)4-3-9-22-13-7-5-12(6-8-13)15(20)21-2/h5-8,10H,3-4,9H2,1-2H3,(H,17,18,19)
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| InChIKey |
WXPOOXUDCLNLKR-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