General Information of the Compound
| Compound ID |
CP0412286
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| Compound Name |
5-[(4S)-2-amino-7'-(2,2-dimethylpropoxy)spiro[5H-1,3-oxazole-4,9'-xanthene]-2'-yl]pyridine-3-carbonitrile
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| Structure |
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| Formula |
C26H24N4O3
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| Molecular Weight |
440.503
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| Canonical SMILES |
CC(C)(C)COc1ccc2Oc3ccc(cc3[C@@]3(COC(N)=N3)c2c1)-c1cncc(c1)C#N
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| InChI |
InChI=1S/C26H24N4O3/c1-25(2,3)14-31-19-5-7-23-21(10-19)26(15-32-24(28)30-26)20-9-17(4-6-22(20)33-23)18-8-16(11-27)12-29-13-18/h4-10,12-13H,14-15H2,1-3H3,(H2,28,30)/t26-/m0/s1
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| InChIKey |
BNJWMFYATZFMQM-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