General Information of the Compound
| Compound ID |
CP0682611
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| Compound Name |
2-amino-2-(hydroxymethyl)propane-1,3-diol 3-(5-chloro-6-isopropoxy-2-oxobenzo[d]oxazol-3(2H)-yl)propanoate
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| Structure |
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| Formula |
C17H25ClN2O8
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| Molecular Weight |
420.846
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| Canonical SMILES |
CC(C)Oc1cc2oc(=O)n(CCC(=O)O)c2cc1Cl.NC(CO)(CO)CO
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| InChI |
InChI=1S/C13H14ClNO5.C4H11NO3/c1-7(2)19-10-6-11-9(5-8(10)14)15(13(18)20-11)4-3-12(16)17;5-4(1-6,2-7)3-8/h5-7H,3-4H2,1-2H3,(H,16,17);6-8H,1-3,5H2
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| InChIKey |
NTDBHCAAFJZJNO-UHFFFAOYSA-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