General Information of the Compound
| Compound ID |
CP0664834
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| Compound Name |
2-amino-2-(hydroxymethyl)propane-1,3-diol 3-(5-chloro-6-ethyl-2-oxobenzo[d]oxazol-3(2H)-yl)propanoate
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| Structure |
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| Formula |
C16H23ClN2O7
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| Molecular Weight |
390.82
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| Canonical SMILES |
CCc1cc2oc(=O)n(CCC(=O)O)c2cc1Cl.NC(CO)(CO)CO
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| InChI |
InChI=1S/C12H12ClNO4.C4H11NO3/c1-2-7-5-10-9(6-8(7)13)14(12(17)18-10)4-3-11(15)16;5-4(1-6,2-7)3-8/h5-6H,2-4H2,1H3,(H,15,16);6-8H,1-3,5H2
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| InChIKey |
XMCQZKVWHICLBN-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