General Information of the Compound
| Compound ID |
CP0450726
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| Compound Name |
5-(4-Fluorophenyl)-2-[(S)-1-(4-fluorophenyl)ethylamino]-5-methylthiazol-4(5H)-one
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| Structure |
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| Formula |
C18H16F2N2OS
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| Molecular Weight |
346.402
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| Canonical SMILES |
C[C@H](NC1=NC(=O)C(C)(S1)c1ccc(F)cc1)c1ccc(F)cc1
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| InChI |
InChI=1S/C18H16F2N2OS/c1-11(12-3-7-14(19)8-4-12)21-17-22-16(23)18(2,24-17)13-5-9-15(20)10-6-13/h3-11H,1-2H3,(H,21,22,23)/t11-,18?/m0/s1
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| InChIKey |
MIGKHDFDKUOWGG-FAQQKDIKSA-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