General Information of the Compound
| Compound ID |
CP0516623
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| Compound Name |
N-[(2R)-1-amino-1-oxo-3-phenylpropan-2-yl]-N-[(3-methoxyphenyl)methyl]thiophene-2-carboxamide
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| Structure |
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| Formula |
C22H22N2O3S
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| Molecular Weight |
394.496
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| Canonical SMILES |
COc1cccc(CN([C@H](Cc2ccccc2)C(N)=O)C(=O)c2cccs2)c1
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| InChI |
InChI=1S/C22H22N2O3S/c1-27-18-10-5-9-17(13-18)15-24(22(26)20-11-6-12-28-20)19(21(23)25)14-16-7-3-2-4-8-16/h2-13,19H,14-15H2,1H3,(H2,23,25)/t19-/m1/s1
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| InChIKey |
XQTCHAKFHLUIGH-LJQANCHMSA-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