General Information of the Compound
| Compound ID |
CP0259083
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| Compound Name |
N-[1-[4-(4-amino-4-oxobutyl)phenyl]-2-[(4-methoxy-2,5-dimethylphenyl)methylamino]ethyl]-5-methyl-1,2-oxazole-3-carboxamide
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| Structure |
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| Formula |
C27H34N4O4
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| Molecular Weight |
478.593
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| Canonical SMILES |
COc1cc(C)c(CNCC(NC(=O)c2cc(C)on2)c2ccc(CCCC(N)=O)cc2)cc1C
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| InChI |
InChI=1S/C27H34N4O4/c1-17-13-25(34-4)18(2)12-22(17)15-29-16-24(30-27(33)23-14-19(3)35-31-23)21-10-8-20(9-11-21)6-5-7-26(28)32/h8-14,24,29H,5-7,15-16H2,1-4H3,(H2,28,32)(H,30,33)
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| InChIKey |
KUNCVDHORJUFRT-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