General Information of the Compound
| Compound ID |
CP0198628
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| Compound Name |
(4S)-2'-(2,2-dimethylpropoxy)-7'-(5-methoxypyridin-3-yl)spiro[5H-1,3-oxazole-4,9'-xanthene]-2-amine
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| Structure |
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| Formula |
C26H27N3O4
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| Molecular Weight |
445.519
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| Canonical SMILES |
COc1cncc(c1)-c1ccc2Oc3ccc(OCC(C)(C)C)cc3[C@]3(COC(N)=N3)c2c1
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| InChI |
InChI=1S/C26H27N3O4/c1-25(2,3)14-31-18-6-8-23-21(11-18)26(15-32-24(27)29-26)20-10-16(5-7-22(20)33-23)17-9-19(30-4)13-28-12-17/h5-13H,14-15H2,1-4H3,(H2,27,29)/t26-/m0/s1
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| InChIKey |
ZTVRKPQAQQUAMM-SANMLTNESA-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