General Information of the Compound
| Compound ID |
CP0255068
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| Compound Name |
2-amino-2-(hydroxymethyl)propane-1,3-diol;3-[5-chloro-6-[(1R)-1-(6-methylpyridin-2-yl)ethoxy]-2-oxo-1,3-benzoxazol-3-yl]propanoic acid
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| Structure |
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| Formula |
C22H28ClN3O8
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| Molecular Weight |
497.932
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| Canonical SMILES |
NC(CO)(CO)CO.C[C@@H](Oc1cc2oc(=O)n(CCC(O)=O)c2cc1Cl)c1cccc(C)n1
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| InChI |
InChI=1S/C18H17ClN2O5.C4H11NO3/c1-10-4-3-5-13(20-10)11(2)25-15-9-16-14(8-12(15)19)21(18(24)26-16)7-6-17(22)23;5-4(1-6,2-7)3-8/h3-5,8-9,11H,6-7H2,1-2H3,(H,22,23);6-8H,1-3,5H2/t11-;/m1./s1
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| InChIKey |
INZZWVUFFAHFNV-RFVHGSKJSA-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