General Information of the Compound
| Compound ID |
CP0541958
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| Compound Name |
(4S)-2'-[(3-methyloxetan-3-yl)methoxy]-7'-pyridin-3-ylspiro[5H-1,3-oxazole-4,9'-xanthene]-2-amine
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| Structure |
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| Formula |
C25H23N3O4
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| Molecular Weight |
429.476
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| Canonical SMILES |
CC1(COc2ccc3Oc4ccc(cc4[C@@]4(COC(N)=N4)c3c2)-c2cccnc2)COC1
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| InChI |
InChI=1S/C25H23N3O4/c1-24(12-29-13-24)14-30-18-5-7-22-20(10-18)25(15-31-23(26)28-25)19-9-16(4-6-21(19)32-22)17-3-2-8-27-11-17/h2-11H,12-15H2,1H3,(H2,26,28)/t25-/m0/s1
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| InChIKey |
SSKYJAODKCTZKZ-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