General Information of the Compound
| Compound ID |
CP0426814
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| Compound Name |
1-[(4S)-2-amino-7'-pyrimidin-5-ylspiro[5H-1,3-oxazole-4,9'-xanthene]-2'-yl]oxy-2-methylpropan-2-ol
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| Structure |
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| Formula |
C23H22N4O4
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| Molecular Weight |
418.453
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| Canonical SMILES |
CC(C)(O)COc1ccc2Oc3ccc(cc3[C@@]3(COC(N)=N3)c2c1)-c1cncnc1
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| InChI |
InChI=1S/C23H22N4O4/c1-22(2,28)11-29-16-4-6-20-18(8-16)23(12-30-21(24)27-23)17-7-14(3-5-19(17)31-20)15-9-25-13-26-10-15/h3-10,13,28H,11-12H2,1-2H3,(H2,24,27)/t23-/m0/s1
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| InChIKey |
LEHZUIOYZVNHKP-QHCPKHFHSA-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