General Information of the Compound
| Compound ID |
CP0398040
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| Compound Name |
[2-[(4-tert-butylphenyl)methyl]-3-[[2-(4-hydroxy-3-methoxyphenyl)acetyl]amino]propyl] 2,2-dimethylpropanoate
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| Structure |
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| Formula |
C28H39NO5
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| Molecular Weight |
469.622
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| Canonical SMILES |
COc1cc(CC(=O)NCC(COC(=O)C(C)(C)C)Cc2ccc(cc2)C(C)(C)C)ccc1O
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| InChI |
InChI=1S/C28H39NO5/c1-27(2,3)22-11-8-19(9-12-22)14-21(18-34-26(32)28(4,5)6)17-29-25(31)16-20-10-13-23(30)24(15-20)33-7/h8-13,15,21,30H,14,16-18H2,1-7H3,(H,29,31)
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| InChIKey |
YWXORMONENMNDV-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