General Information of the Compound
| Compound ID |
CP0547166
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| Compound Name |
2-[(S)-1-(4-Chlorophenyl)ethylamino]-5-(3-hydroxypropan-2-yl)-5-methylthiazol-4(5H)-one
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| Structure |
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| Formula |
C15H19ClN2O2S
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| Molecular Weight |
326.849
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| Canonical SMILES |
C[C@H](NC1=NC(=O)C(C)(S1)C(C)(C)O)c1ccc(Cl)cc1
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| InChI |
InChI=1S/C15H19ClN2O2S/c1-9(10-5-7-11(16)8-6-10)17-13-18-12(19)15(4,21-13)14(2,3)20/h5-9,20H,1-4H3,(H,17,18,19)/t9-,15?/m0/s1
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| InChIKey |
NRJVGOVDMMTDJE-HJULIUOESA-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