General Information of the Compound
| Compound ID |
CP0198623
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| Compound Name |
(4S)-2'-(2,2-dimethylmorpholin-4-yl)-7'-pyrimidin-5-ylspiro[5H-1,3-oxazole-4,9'-xanthene]-2-amine
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| Structure |
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| Formula |
C25H25N5O3
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| Molecular Weight |
443.507
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| Canonical SMILES |
CC1(C)CN(CCO1)c1ccc2Oc3ccc(cc3[C@@]3(COC(N)=N3)c2c1)-c1cncnc1
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| InChI |
InChI=1S/C25H25N5O3/c1-24(2)13-30(7-8-32-24)18-4-6-22-20(10-18)25(14-31-23(26)29-25)19-9-16(3-5-21(19)33-22)17-11-27-15-28-12-17/h3-6,9-12,15H,7-8,13-14H2,1-2H3,(H2,26,29)/t25-/m0/s1
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| InChIKey |
QPHLVXZLURTAQR-VWLOTQADSA-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