General Information of the Compound
| Compound ID |
CP0561576
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| Compound Name |
N'-[(1S)-2-amino-1-[5-(hydroxymethyl)-1,3-thiazol-2-yl]ethyl]-N-[(4-chloro-3-fluorophenyl)methyl]oxamide
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| Formula |
C15H16ClFN4O3S
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| Molecular Weight |
386.836
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| Canonical SMILES |
NC[C@H](NC(=O)C(=O)NCc1ccc(Cl)c(F)c1)c1ncc(CO)s1
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| InChI |
InChI=1S/C15H16ClFN4O3S/c16-10-2-1-8(3-11(10)17)5-19-13(23)14(24)21-12(4-18)15-20-6-9(7-22)25-15/h1-3,6,12,22H,4-5,7,18H2,(H,19,23)(H,21,24)/t12-/m0/s1
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| InChIKey |
QVKPOBNDMAVCHS-LBPRGKRZSA-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