General Information of the Compound
| Compound ID |
CP0054828
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| Compound Name |
3-[(4S)-2-amino-7'-pyrimidin-5-ylspiro[5H-1,3-oxazole-4,9'-xanthene]-2'-yl]oxy-2,2-dimethylpropanenitrile
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| Structure |
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| Formula |
C24H21N5O3
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| Molecular Weight |
427.464
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| Canonical SMILES |
CC(C)(COc1ccc2Oc3ccc(cc3[C@@]3(COC(N)=N3)c2c1)-c1cncnc1)C#N
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| InChI |
InChI=1S/C24H21N5O3/c1-23(2,11-25)12-30-17-4-6-21-19(8-17)24(13-31-22(26)29-24)18-7-15(3-5-20(18)32-21)16-9-27-14-28-10-16/h3-10,14H,12-13H2,1-2H3,(H2,26,29)/t24-/m0/s1
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| InChIKey |
JUKKJWQRMMAXPV-DEOSSOPVSA-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