General Information of the Compound
| Compound ID |
CP0046198
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| Compound Name |
(4S)-2'-propoxy-7'-pyrimidin-5-ylspiro[5H-1,3-oxazole-4,9'-xanthene]-2-amine
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| Structure |
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| Formula |
C22H20N4O3
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| Molecular Weight |
388.427
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| Canonical SMILES |
CCCOc1ccc2Oc3ccc(cc3[C@@]3(COC(N)=N3)c2c1)-c1cncnc1
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| InChI |
InChI=1S/C22H20N4O3/c1-2-7-27-16-4-6-20-18(9-16)22(12-28-21(23)26-22)17-8-14(3-5-19(17)29-20)15-10-24-13-25-11-15/h3-6,8-11,13H,2,7,12H2,1H3,(H2,23,26)/t22-/m0/s1
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| InChIKey |
GXLBLAWTCDBEDC-QFIPXVFZSA-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