General Information of the Compound
| Compound ID |
CP0505235
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| Compound Name |
N-[(1R)-2-amino-2-oxo-1-phenylethyl]-N-[[4-[(4-fluorophenyl)methoxy]-3-methoxyphenyl]methyl]thiophene-2-carboxamide
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| Structure |
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| Formula |
C28H25FN2O4S
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| Molecular Weight |
504.583
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| Canonical SMILES |
COc1cc(CN([C@@H](C(N)=O)c2ccccc2)C(=O)c2cccs2)ccc1OCc1ccc(F)cc1
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| InChI |
InChI=1S/C28H25FN2O4S/c1-34-24-16-20(11-14-23(24)35-18-19-9-12-22(29)13-10-19)17-31(28(33)25-8-5-15-36-25)26(27(30)32)21-6-3-2-4-7-21/h2-16,26H,17-18H2,1H3,(H2,30,32)/t26-/m1/s1
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| InChIKey |
HKYHALFWTFNENI-AREMUKBSSA-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