General Information of the Compound
| Compound ID |
CP0493905
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| Compound Name |
2-[(S)-1-(4-Fluorophenyl)ethylamino]-5-[4-(hydroxymethyl)phenyl]-5-methylthiazol-4(5H)-one
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| Structure |
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| Formula |
C19H19FN2O2S
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| Molecular Weight |
358.438
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| Canonical SMILES |
C[C@H](NC1=NC(=O)C(C)(S1)c1ccc(CO)cc1)c1ccc(F)cc1
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| InChI |
InChI=1S/C19H19FN2O2S/c1-12(14-5-9-16(20)10-6-14)21-18-22-17(24)19(2,25-18)15-7-3-13(11-23)4-8-15/h3-10,12,23H,11H2,1-2H3,(H,21,22,24)/t12-,19?/m0/s1
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| InChIKey |
WJJRVEFWXPKMQE-HSLMYDHPSA-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