General Information of the Compound
| Compound ID |
CP0841467
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| Compound Name |
2-amino-2-(hydroxymethyl)propane-1,3-diol 3-(5-chloro-2-oxo-6-(trifluoromethyl)benzo[d]oxazol-3(2H)-yl)propanoate
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| Structure |
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| Formula |
C15H18ClF3N2O7
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| Molecular Weight |
430.763
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| Canonical SMILES |
NC(CO)(CO)CO.O=C(O)CCn1c(=O)oc2cc(C(F)(F)F)c(Cl)cc21
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| InChI |
InChI=1S/C11H7ClF3NO4.C4H11NO3/c12-6-4-7-8(3-5(6)11(13,14)15)20-10(19)16(7)2-1-9(17)18;5-4(1-6,2-7)3-8/h3-4H,1-2H2,(H,17,18);6-8H,1-3,5H2
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| InChIKey |
AWFXAFKRCAUZBF-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