General Information of the Compound
| Compound ID |
CP0840466
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| Compound Name |
3-[5-Chloro-2-oxo-6-(pyridin-2-ylmethoxy)-2,3-dihydro-1,3-benzoxazol-3-yl]propanoic Acid tris(hydroxymethyl)aminomethane salt
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| Structure |
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| Formula |
C20H24ClN3O8
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| Molecular Weight |
469.878
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| Canonical SMILES |
NC(CO)(CO)CO.O=C(O)CCn1c(=O)oc2cc(OCc3ccccn3)c(Cl)cc21
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| InChI |
InChI=1S/C16H13ClN2O5.C4H11NO3/c17-11-7-12-14(24-16(22)19(12)6-4-15(20)21)8-13(11)23-9-10-3-1-2-5-18-10;5-4(1-6,2-7)3-8/h1-3,5,7-8H,4,6,9H2,(H,20,21);6-8H,1-3,5H2
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| InChIKey |
GOMLCADQIDHADZ-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