General Information of the Compound
| Compound ID |
CP0478248
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| Compound Name |
2-amino-2-(hydroxymethyl)propane-1,3-diol;3-[5-chloro-2-oxo-6-[(1R)-1-pyrimidin-2-ylethoxy]-1,3-benzoxazol-3-yl]propanoic acid
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| Structure |
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| Formula |
C20H25ClN4O8
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| Molecular Weight |
484.893
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| Canonical SMILES |
NC(CO)(CO)CO.C[C@@H](Oc1cc2oc(=O)n(CCC(O)=O)c2cc1Cl)c1ncccn1
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| InChI |
InChI=1S/C16H14ClN3O5.C4H11NO3/c1-9(15-18-4-2-5-19-15)24-12-8-13-11(7-10(12)17)20(16(23)25-13)6-3-14(21)22;5-4(1-6,2-7)3-8/h2,4-5,7-9H,3,6H2,1H3,(H,21,22);6-8H,1-3,5H2/t9-;/m1./s1
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| InChIKey |
IHGONDAMSULORB-SBSPUUFOSA-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