General Information of the Compound
| Compound ID |
CP0450261
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| Compound Name |
1-[4-[[4-[[(2R)-2,3-dihydroxypropyl]amino]-3-methylphenyl]-diethylsilyl]-2-methylphenoxy]-3,3-dimethylbutan-2-one
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| Structure |
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| Formula |
C27H41NO4Si
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| Molecular Weight |
471.714
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| Canonical SMILES |
CC[Si](CC)(c1ccc(NC[C@@H](O)CO)c(C)c1)c1ccc(OCC(=O)C(C)(C)C)c(C)c1
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| InChI |
InChI=1S/C27H41NO4Si/c1-8-33(9-2,22-10-12-24(19(3)14-22)28-16-21(30)17-29)23-11-13-25(20(4)15-23)32-18-26(31)27(5,6)7/h10-15,21,28-30H,8-9,16-18H2,1-7H3/t21-/m1/s1
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| InChIKey |
FFSVQDBMTFYZIA-OAQYLSRUSA-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