General Information of the Compound
| Compound ID |
CP0186929
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| Compound Name |
2'-(2-chloropyridin-4-yl)-7'-methoxyspiro[5H-1,3-oxazole-4,9'-xanthene]-2-amine
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| Structure |
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| Formula |
C21H16ClN3O3
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| Molecular Weight |
393.83
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| Canonical SMILES |
COc1ccc2Oc3ccc(cc3C3(COC(N)=N3)c2c1)-c1ccnc(Cl)c1
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| InChI |
InChI=1S/C21H16ClN3O3/c1-26-14-3-5-18-16(10-14)21(11-27-20(23)25-21)15-8-12(2-4-17(15)28-18)13-6-7-24-19(22)9-13/h2-10H,11H2,1H3,(H2,23,25)
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| InChIKey |
VAZIEHLSWRALTQ-UHFFFAOYSA-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