General Information of the Compound
| Compound ID |
CP0318084
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| Compound Name |
4-[(4R)-2-amino-7'-pyrimidin-5-ylspiro[5H-1,3-oxazole-4,9'-xanthene]-2'-yl]-2-methylbut-3-yn-2-ol
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| Structure |
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| Formula |
C24H20N4O3
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| Molecular Weight |
412.449
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| Canonical SMILES |
CC(C)(O)C#Cc1ccc2Oc3ccc(cc3[C@@]3(COC(N)=N3)c2c1)-c1cncnc1
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| InChI |
InChI=1S/C24H20N4O3/c1-23(2,29)8-7-15-3-5-20-18(9-15)24(13-30-22(25)28-24)19-10-16(4-6-21(19)31-20)17-11-26-14-27-12-17/h3-6,9-12,14,29H,13H2,1-2H3,(H2,25,28)/t24-/m1/s1
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| InChIKey |
QGAWXOQEXMZKDG-XMMPIXPASA-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