General Information of the Compound
| Compound ID |
CP0553147
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| Compound Name |
N-[(1R)-2-amino-1-[5-(hydroxymethyl)-1,3-thiazol-2-yl]ethyl]-2-[(4-chlorophenyl)methylamino]acetamide;dihydrochloride
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| Formula |
C15H21Cl3N4O2S
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| Molecular Weight |
427.785
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| Canonical SMILES |
Cl.Cl.NC[C@@H](NC(=O)CNCc1ccc(Cl)cc1)c1ncc(CO)s1
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| InChI |
InChI=1S/C15H19ClN4O2S.2ClH/c16-11-3-1-10(2-4-11)6-18-8-14(22)20-13(5-17)15-19-7-12(9-21)23-15;;/h1-4,7,13,18,21H,5-6,8-9,17H2,(H,20,22);2*1H/t13-;;/m1../s1
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| InChIKey |
YVWLOAYLLZSHQU-FFXKMJQXSA-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